methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate

C20H18O4 — CID 155933400

IUPACmethyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)C(c1ccc(OC)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C20H18O4/c1-23-15-10-7-14(8-11-15)18(20(22)24-2)19-16-6-4-3-5-13(16)9-12-17(19)21/h3-12,18,21H,1-2H3
InChIKeyNFHFCYZBSMGYPA-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.86
Rot. Bonds4

About methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate

methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate (PubChem CID 155933400) has the molecular formula C20H18O4 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
PubChem CID155933400
Molecular FormulaC20H18O4
Molecular Weight322.36 g/mol
Exact Mass322.12
IUPAC Namemethyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate
SMILESCOC(=O)C(c1ccc(OC)cc1)c1c(O)ccc2ccccc12
InChIInChI=1S/C20H18O4/c1-23-15-10-7-14(8-11-15)18(20(22)24-2)19-16-6-4-3-5-13(16)9-12-17(19)21/h3-12,18,21H,1-2H3
InChIKeyNFHFCYZBSMGYPA-UHFFFAOYSA-N
XLogP3.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-methoxyphenyl)ethyl]naphthalen-2-ol
CID 101441341
N-[(S)-(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 877378
N-[(2-hydroxynaphthalen-1-yl)-(4-methoxyphenyl)methyl]prop-2-enamide
CID 102482362
N-[(S)-(4-chlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-4-methoxybenzamide
CID 2278763
1-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 42954212
N-tert-butyl-2-(2-hydroxynaphthalen-1-yl)-2-phenylacetamide
CID 154088304
1-[1-(4-methoxyphenyl)oct-2-ynyl]naphthalen-2-ol
CID 101438208
methyl 2-chloro-2-(2-methoxynaphthalen-1-yl)acetate
CID 62224921
dimethyl 2-[(R)-(4-methoxyphenyl)-naphthalen-2-ylmethyl]propanedioate
CID 134846640
[(2-hydroxynaphthalen-1-yl)-(4-hydroxyphenyl)methyl]urea
CID 101497401
N-[(2-hydroxynaphthalen-1-yl)-phenylmethyl]-2-methoxybenzamide
CID 2787112
N-[(2-hydroxynaphthalen-1-yl)-(4-methylphenyl)methyl]acetamide
CID 2876968

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate?
The IUPAC name of methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate (CID 155933400) is methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate is COC(=O)C(c1ccc(OC)cc1)c1c(O)ccc2ccccc12.
What is the InChIKey of methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate?
The InChIKey is NFHFCYZBSMGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4/c1-23-15-10-7-14(8-11-15)18(20(22)24-2)19-16-6-4-3-5-13(16)9-12-17(19)21/h3-12,18,21H,1-2H3.
What are the key properties of methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate?
methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate has a molecular weight of 322.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-hydroxynaphthalen-1-yl)-2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 155933400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).