8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol

C18H16O3 — CID 169101097

IUPAC8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol
SMILESCOc1cccc(C(O)c2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16O3/c1-21-15-6-2-5-13(10-15)18(20)16-7-3-4-12-8-9-14(19)11-17(12)16/h2-11,18-20H,1H3
InChIKeySEKMTOXBQGNMCI-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.64
Rot. Bonds3

About 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol

8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol (PubChem CID 169101097) has the molecular formula C18H16O3 and a molecular weight of 280.32 g/mol. Its IUPAC name is 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol
PubChem CID169101097
Molecular FormulaC18H16O3
Molecular Weight280.32 g/mol
Exact Mass280.11
IUPAC Name8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol
SMILESCOc1cccc(C(O)c2cccc3ccc(O)cc23)c1
InChIInChI=1S/C18H16O3/c1-21-15-6-2-5-13(10-15)18(20)16-7-3-4-12-8-9-14(19)11-17(12)16/h2-11,18-20H,1H3
InChIKeySEKMTOXBQGNMCI-UHFFFAOYSA-N
XLogP3.64
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyphenyl)-phenanthren-9-ylmethanol
CID 72942494
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(3-bromo-2-chlorophenyl)-(3-methoxyphenyl)methanol
CID 114976791
(2-bromo-3-pyridinyl)-(3-methoxyphenyl)methanol
CID 174438652
(4-ethylsulfanylphenyl)-(3-methoxyphenyl)methanol
CID 106848346
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol?
The IUPAC name of 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol (CID 169101097) is 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol.
What is the SMILES notation for 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol?
The canonical SMILES for 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol is COc1cccc(C(O)c2cccc3ccc(O)cc23)c1.
What is the InChIKey of 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol?
The InChIKey is SEKMTOXBQGNMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O3/c1-21-15-6-2-5-13(10-15)18(20)16-7-3-4-12-8-9-14(19)11-17(12)16/h2-11,18-20H,1H3.
What are the key properties of 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol?
8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol has a molecular weight of 280.32 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[hydroxy-(3-methoxyphenyl)methyl]naphthalen-2-ol is sourced from PubChem (CID 169101097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).