2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

C19H20O5 — CID 13300403

IUPAC2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc(OCc2ccccc2)c2c1CC(O)(C(=O)O)CC2
InChIInChI=1S/C19H20O5/c1-23-16-7-8-17(24-12-13-5-3-2-4-6-13)14-9-10-19(22,18(20)21)11-15(14)16/h2-8,22H,9-12H2,1H3,(H,20,21)
InChIKeyHYGZOTPTSCRDHN-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.58
Rot. Bonds5

About 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid

2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (PubChem CID 13300403) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
PubChem CID13300403
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid
SMILESCOc1ccc(OCc2ccccc2)c2c1CC(O)(C(=O)O)CC2
InChIInChI=1S/C19H20O5/c1-23-16-7-8-17(24-12-13-5-3-2-4-6-13)14-9-10-19(22,18(20)21)11-15(14)16/h2-8,22H,9-12H2,1H3,(H,20,21)
InChIKeyHYGZOTPTSCRDHN-UHFFFAOYSA-N
XLogP2.58
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-phenylmethoxybenzamide
CID 22467475
8-methoxy-5-phenylmethoxy-3,4-dihydro-2H-naphthalen-1-one
CID 95561498
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
3-(3-methoxy-4-phenylmethoxyphenyl)propanoic acid
CID 2752415
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N,N-dimethylmethanamine;methyl 3-methoxy-4-phenylmethoxybenzoate
CID 145103744
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 8936655
methyl 3-methoxy-4-methyl-5-phenylmethoxybenzoate
CID 11414943
methyl 1-[2,6-bis(phenylmethoxy)phenyl]cyclopropane-1-carboxylate
CID 146486756
4,7-dimethoxy-6-phenylmethoxynaphthalene-2-carboxylic acid
CID 73013799

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The IUPAC name of 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid (CID 13300403) is 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is COc1ccc(OCc2ccccc2)c2c1CC(O)(C(=O)O)CC2.
What is the InChIKey of 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
The InChIKey is HYGZOTPTSCRDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-23-16-7-8-17(24-12-13-5-3-2-4-6-13)14-9-10-19(22,18(20)21)11-15(14)16/h2-8,22H,9-12H2,1H3,(H,20,21).
What are the key properties of 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid?
2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid has a molecular weight of 328.36 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methoxy-5-phenylmethoxy-3,4-dihydro-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 13300403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).