2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde

C18H14O3 — CID 59599735

IUPAC2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
SMILESCOc1ccc(-c2ccc3ccccc3c2)c(C=O)c1O
InChIInChI=1S/C18H14O3/c1-21-17-9-8-15(16(11-19)18(17)20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,20H,1H3
InChIKeyLHSDHWLMLWIIIC-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.03
Rot. Bonds3

About 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde

2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde (PubChem CID 59599735) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
PubChem CID59599735
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde
SMILESCOc1ccc(-c2ccc3ccccc3c2)c(C=O)c1O
InChIInChI=1S/C18H14O3/c1-21-17-9-8-15(16(11-19)18(17)20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,20H,1H3
InChIKeyLHSDHWLMLWIIIC-UHFFFAOYSA-N
XLogP4.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-6-(4-propan-2-ylphenyl)benzaldehyde
CID 59599776
4-methoxy-2-naphthalen-2-ylbenzene-1,3-dicarbaldehyde
CID 175432484
6-(2-ethylphenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 91468164
2-methoxy-5-naphthalen-2-ylphenol
CID 53220915
2-(3,4-dimethoxyphenyl)naphthalene
CID 10890732
4-(2-hydroxy-3-methoxyphenyl)-6-naphthalen-2-yl-1H-pyridin-2-one
CID 100996420
2-hydroxy-3-methoxy-9,10-dioxoanthracene-1-carbaldehyde
CID 11550926
6-(4-hydroxy-2-methoxyphenyl)naphthalen-2-ol
CID 10125342
3-(4-methoxy-3-naphthalen-2-ylphenyl)propanoic acid
CID 22559255
methyl 4-(2-formyl-3,4-dihydroxy-5-methoxyphenyl)benzoate
CID 172796965
4-naphthalen-2-ylbenzene-1,2,3-triol
CID 54019836
2-hydroxy-3-methoxy-6-(1,2,3-trihydroxypropyl)benzaldehyde
CID 170818456

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde (CID 59599735) is 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde is COc1ccc(-c2ccc3ccccc3c2)c(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde?
The InChIKey is LHSDHWLMLWIIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c1-21-17-9-8-15(16(11-19)18(17)20)14-7-6-12-4-2-3-5-13(12)10-14/h2-11,20H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde?
2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde has a molecular weight of 278.31 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-6-naphthalen-2-ylbenzaldehyde is sourced from PubChem (CID 59599735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).