2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde

C19H16O4 — CID 126763632

IUPAC2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde
SMILESCOC(O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1
InChIInChI=1S/C19H16O4/c1-23-19(22)13-4-2-12(3-5-13)14-6-8-16-15(10-14)7-9-18(21)17(16)11-20/h2-11,19,21-22H,1H3
InChIKeyFTQPOVNMHNFSNW-UHFFFAOYSA-N
MW308.33 g/mol
LogP3.66
Rot. Bonds4

About 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde

2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde (PubChem CID 126763632) has the molecular formula C19H16O4 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde
PubChem CID126763632
Molecular FormulaC19H16O4
Molecular Weight308.33 g/mol
Exact Mass308.10
IUPAC Name2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde
SMILESCOC(O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1
InChIInChI=1S/C19H16O4/c1-23-19(22)13-4-2-12(3-5-13)14-6-8-16-15(10-14)7-9-18(21)17(16)11-20/h2-11,19,21-22H,1H3
InChIKeyFTQPOVNMHNFSNW-UHFFFAOYSA-N
XLogP3.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(3-acetylphenyl)-2-hydroxynaphthalene-1-carbaldehyde
CID 126763631
2-amino-6-(4-hydroxy-3-methylphenyl)naphthalene-1-carbaldehyde
CID 126763706
2-hydroxy-6-[4-(morpholine-4-carbonyl)phenyl]naphthalene-1-carbaldehyde
CID 59599773
6-ethynyl-2-hydroxynaphthalene-1-carbaldehyde
CID 165164881
7-ethyl-2-hydroxynaphthalene-1-carbaldehyde
CID 89338488
2-hydroxy-6-[3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]naphthalene-1-carbaldehyde
CID 129178306
2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetic acid
CID 88947014
6-(6-hydroxy-5-methylnaphthalen-2-yl)-1-methylnaphthalen-2-ol
CID 153453254
2-hydroxy-6-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
CID 88947290
N,N-diethyl-2-(5-formyl-6-hydroxynaphthalen-2-yl)oxyacetamide
CID 146414088
2-bromo-4-[hydroxy(methoxy)methyl]phenol
CID 139576076
6-(5-formyl-6-hydroxy-7-iodonaphthalen-2-yl)-2-hydroxy-3-iodonaphthalene-1-carbaldehyde
CID 176847886

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde?
The IUPAC name of 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde (CID 126763632) is 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde.
What is the SMILES notation for 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde?
The canonical SMILES for 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde is COC(O)c1ccc(-c2ccc3c(C=O)c(O)ccc3c2)cc1.
What is the InChIKey of 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde?
The InChIKey is FTQPOVNMHNFSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4/c1-23-19(22)13-4-2-12(3-5-13)14-6-8-16-15(10-14)7-9-18(21)17(16)11-20/h2-11,19,21-22H,1H3.
What are the key properties of 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde?
2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde has a molecular weight of 308.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[4-[hydroxy(methoxy)methyl]phenyl]naphthalene-1-carbaldehyde is sourced from PubChem (CID 126763632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).