(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate

C23H22O6 — CID 19873071

IUPAC(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate
SMILESCOc1c(C)c(OC(C)=O)c2ccc(OCc3ccccc3)cc2c1OC(C)=O
InChIInChI=1S/C23H22O6/c1-14-21(28-15(2)24)19-11-10-18(27-13-17-8-6-5-7-9-17)12-20(19)23(22(14)26-4)29-16(3)25/h5-12H,13H2,1-4H3
InChIKeyNWEQRJDPELPWNA-UHFFFAOYSA-N
MW394.42 g/mol
LogP4.59
Rot. Bonds6

About (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate

(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate (PubChem CID 19873071) has the molecular formula C23H22O6 and a molecular weight of 394.42 g/mol. Its IUPAC name is (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate
PubChem CID19873071
Molecular FormulaC23H22O6
Molecular Weight394.42 g/mol
Exact Mass394.14
IUPAC Name(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate
SMILESCOc1c(C)c(OC(C)=O)c2ccc(OCc3ccccc3)cc2c1OC(C)=O
InChIInChI=1S/C23H22O6/c1-14-21(28-15(2)24)19-11-10-18(27-13-17-8-6-5-7-9-17)12-20(19)23(22(14)26-4)29-16(3)25/h5-12H,13H2,1-4H3
InChIKeyNWEQRJDPELPWNA-UHFFFAOYSA-N
XLogP4.59
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
(3-bromo-2-oxo-7-phenylmethoxychromen-4-yl) acetate
CID 46845317
2-acetyloxy-5-phenylmethoxybenzoic acid
CID 71396804
(3-methoxy-4-phenylmethoxyphenyl) acetate
CID 57146264
(3-methyl-4-phenylmethoxyphenyl) acetate
CID 129245175
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
(4-hydroxy-2-methoxy-3-methylnaphthalen-1-yl) acetate
CID 19873003
[4-hydroxy-2,3-dimethoxy-6-(1-phenylethoxy)naphthalen-1-yl] acetate
CID 67897809
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
ethyl (2Z)-2-(2-acetyloxy-5-phenylmethoxyphenyl)-2-methoxyiminoacetate
CID 56599877

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate?
The IUPAC name of (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate (CID 19873071) is (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate.
What is the SMILES notation for (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate?
The canonical SMILES for (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate is COc1c(C)c(OC(C)=O)c2ccc(OCc3ccccc3)cc2c1OC(C)=O.
What is the InChIKey of (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate?
The InChIKey is NWEQRJDPELPWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O6/c1-14-21(28-15(2)24)19-11-10-18(27-13-17-8-6-5-7-9-17)12-20(19)23(22(14)26-4)29-16(3)25/h5-12H,13H2,1-4H3.
What are the key properties of (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate?
(4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate has a molecular weight of 394.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-3-methoxy-2-methyl-6-phenylmethoxynaphthalen-1-yl) acetate is sourced from PubChem (CID 19873071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).