ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol

C93H94O17 — CID 161201935

IUPACethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol
SMILESCC(C)(C)OC(C(=O)O)c1c(OCc2ccccc2)ccc2ccccc12.CCOC(=O)C(O)c1c(O)ccc2ccccc12.CCOC(=O)C(O)c1c(OCc2ccccc2)ccc2ccccc12.CCOC(=O)C(OC(C)(C)C)c1c(OCc2ccccc2)ccc2ccccc12.Oc1ccc2ccccc2c1
InChIInChI=1S/C25H28O4.C23H24O4.C21H20O4.C14H14O4.C10H8O/c1-5-27-24(26)23(29-25(2,3)4)22-20-14-10-9-13-19(20)15-16-21(22)28-17-18-11-7-6-8-12-18;1-23(2,3)27-21(22(24)25)20-18-12-8-7-11-17(18)13-14-19(20)26-15-16-9-5-4-6-10-16;1-2-24-21(23)20(22)19-17-11-7-6-10-16(17)12-13-18(19)25-14-15-8-4-3-5-9-15;1-2-18-14(17)13(16)12-10-6-4-3-5-9(10)7-8-11(12)15;11-10-6-5-8-3-1-2-4-9(8)7-10/h6-16,23H,5,17H2,1-4H3;4-14,21H,15H2,1-3H3,(H,24,25);3-13,20,22H,2,14H2,1H3;3-8,13,15-16H,2H2,1H3;1-7,11H
InChIKeyUVCBKSAWBKCBRP-UHFFFAOYSA-N
MW1483.76 g/mol
LogP19.90
Rot. Bonds22

About ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol

ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol (PubChem CID 161201935) has the molecular formula C93H94O17 and a molecular weight of 1483.76 g/mol. Its IUPAC name is ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol.

Molecular Properties

Compound Nameethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol
PubChem CID161201935
Molecular FormulaC93H94O17
Molecular Weight1483.76 g/mol
Exact Mass1482.65
IUPAC Nameethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol
SMILESCC(C)(C)OC(C(=O)O)c1c(OCc2ccccc2)ccc2ccccc12.CCOC(=O)C(O)c1c(O)ccc2ccccc12.CCOC(=O)C(O)c1c(OCc2ccccc2)ccc2ccccc12.CCOC(=O)C(OC(C)(C)C)c1c(OCc2ccccc2)ccc2ccccc12.Oc1ccc2ccccc2c1
InChIInChI=1S/C25H28O4.C23H24O4.C21H20O4.C14H14O4.C10H8O/c1-5-27-24(26)23(29-25(2,3)4)22-20-14-10-9-13-19(20)15-16-21(22)28-17-18-11-7-6-8-12-18;1-23(2,3)27-21(22(24)25)20-18-12-8-7-11-17(18)13-14-19(20)26-15-16-9-5-4-6-10-16;1-2-24-21(23)20(22)19-17-11-7-6-10-16(17)12-13-18(19)25-14-15-8-4-3-5-9-15;1-2-18-14(17)13(16)12-10-6-4-3-5-9(10)7-8-11(12)15;11-10-6-5-8-3-1-2-4-9(8)7-10/h6-16,23H,5,17H2,1-4H3;4-14,21H,15H2,1-3H3,(H,24,25);3-13,20,22H,2,14H2,1H3;3-8,13,15-16H,2H2,1H3;1-7,11H
InChIKeyUVCBKSAWBKCBRP-UHFFFAOYSA-N
XLogP19.90
TPSA243.27 Ų
H-Bond Donors5
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001483.76
LogP ≤ 519.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol with MolForge

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Related Compounds

1-(2-phenylmethoxynaphthalen-1-yl)propan-1-ol
CID 163598537
ethyl 2-(2,4-dimethylquinolin-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
CID 123322741
ethyl 2-hydroxy-2-(1-hydroxy-3-methylnaphthalen-2-yl)acetate
CID 67126334
ethyl (2R)-2-[[(R)-tert-butylsulfinyl]amino]-2-(2-hydroxynaphthalen-1-yl)acetate
CID 56839486
1,5-dibromo-2,4-bis(2-phenylmethoxynaphthalen-1-yl)pentan-3-one
CID 151098183
1-(2-ethoxynaphthalen-1-yl)-1-hydroxypropan-2-one
CID 142273790
ethyl 4-phenylmethoxynaphthalene-2-carboxylate
CID 22127020
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
CID 158113747
ethyl 2-anthracen-9-yl-2-methoxyacetate
CID 10424514
ethyl (3R)-3-amino-2,2-difluoro-3-(2-hydroxynaphthalen-1-yl)propanoate
CID 171243772
(2S)-2-[1-(4-chlorophenyl)-3-ethenylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[3-(bromomethyl)-1-(4-chlorophenyl)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[1-(4-chlorophenyl)-3-ethenylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[1-(4-chlorophenyl)-3-formylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 158801789
ethyl (3S)-3-amino-3-(2-ethoxynaphthalen-1-yl)-2-fluoropropanoate
CID 171250846

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol?
The IUPAC name of ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol (CID 161201935) is ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol.
What is the SMILES notation for ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol?
The canonical SMILES for ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol is CC(C)(C)OC(C(=O)O)c1c(OCc2ccccc2)ccc2ccccc12.CCOC(=O)C(O)c1c(O)ccc2ccccc12.CCOC(=O)C(O)c1c(OCc2ccccc2)ccc2ccccc12.CCOC(=O)C(OC(C)(C)C)c1c(OCc2ccccc2)ccc2ccccc12.Oc1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol?
The InChIKey is UVCBKSAWBKCBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O4.C23H24O4.C21H20O4.C14H14O4.C10H8O/c1-5-27-24(26)23(29-25(2,3)4)22-20-14-10-9-13-19(20)15-16-21(22)28-17-18-11-7-6-8-12-18;1-23(2,3)27-21(22(24)25)20-18-12-8-7-11-17(18)13-14-19(20)26-15-16-9-5-4-6-10-16;1-2-24-21(23)20(22)19-17-11-7-6-10-16(17)12-13-18(19)25-14-15-8-4-3-5-9-15;1-2-18-14(17)13(16)12-10-6-4-3-5-9(10)7-8-11(12)15;11-10-6-5-8-3-1-2-4-9(8)7-10/h6-16,23H,5,17H2,1-4H3;4-14,21H,15H2,1-3H3,(H,24,25);3-13,20,22H,2,14H2,1H3;3-8,13,15-16H,2H2,1H3;1-7,11H.
What are the key properties of ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol?
ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol has a molecular weight of 1483.76 g/mol, XLogP of 19.90, 22 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-2-(2-hydroxynaphthalen-1-yl)acetate;ethyl 2-hydroxy-2-(2-phenylmethoxynaphthalen-1-yl)acetate;ethyl 2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetate;2-[(2-methylpropan-2-yl)oxy]-2-(2-phenylmethoxynaphthalen-1-yl)acetic acid;naphthalen-2-ol is sourced from PubChem (CID 161201935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).