[6-(4-methylphenyl)naphthalen-2-yl]oxymethanol

C18H16O2 — CID 58763504

IUPAC[6-(4-methylphenyl)naphthalen-2-yl]oxymethanol
SMILESCc1ccc(-c2ccc3cc(OCO)ccc3c2)cc1
InChIInChI=1S/C18H16O2/c1-13-2-4-14(5-3-13)15-6-7-17-11-18(20-12-19)9-8-16(17)10-15/h2-11,19H,12H2,1H3
InChIKeyWMSYQUOVMSYGSI-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.14
Rot. Bonds3

About [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol

[6-(4-methylphenyl)naphthalen-2-yl]oxymethanol (PubChem CID 58763504) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol.

Molecular Properties

Compound Name[6-(4-methylphenyl)naphthalen-2-yl]oxymethanol
PubChem CID58763504
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name[6-(4-methylphenyl)naphthalen-2-yl]oxymethanol
SMILESCc1ccc(-c2ccc3cc(OCO)ccc3c2)cc1
InChIInChI=1S/C18H16O2/c1-13-2-4-14(5-3-13)15-6-7-17-11-18(20-12-19)9-8-16(17)10-15/h2-11,19H,12H2,1H3
InChIKeyWMSYQUOVMSYGSI-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol?
The IUPAC name of [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol (CID 58763504) is [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol.
What is the SMILES notation for [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol?
The canonical SMILES for [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol is Cc1ccc(-c2ccc3cc(OCO)ccc3c2)cc1.
What is the InChIKey of [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol?
The InChIKey is WMSYQUOVMSYGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-13-2-4-14(5-3-13)15-6-7-17-11-18(20-12-19)9-8-16(17)10-15/h2-11,19H,12H2,1H3.
What are the key properties of [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol?
[6-(4-methylphenyl)naphthalen-2-yl]oxymethanol has a molecular weight of 264.32 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylphenyl)naphthalen-2-yl]oxymethanol is sourced from PubChem (CID 58763504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).