[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol

C23H20O — CID 68547710

IUPAC[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol
SMILESCC1=CCC(c2ccc3ccccc3c2-c2ccccc2CO)=C1
InChIInChI=1S/C23H20O/c1-16-10-11-18(14-16)22-13-12-17-6-2-4-8-20(17)23(22)21-9-5-3-7-19(21)15-24/h2-10,12-14,24H,11,15H2,1H3
InChIKeySATXAHSCCVLEQH-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.73
Rot. Bonds3

About [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol

[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol (PubChem CID 68547710) has the molecular formula C23H20O and a molecular weight of 312.41 g/mol. Its IUPAC name is [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol
PubChem CID68547710
Molecular FormulaC23H20O
Molecular Weight312.41 g/mol
Exact Mass312.15
IUPAC Name[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol
SMILESCC1=CCC(c2ccc3ccccc3c2-c2ccccc2CO)=C1
InChIInChI=1S/C23H20O/c1-16-10-11-18(14-16)22-13-12-17-6-2-4-8-20(17)23(22)21-9-5-3-7-19(21)15-24/h2-10,12-14,24H,11,15H2,1H3
InChIKeySATXAHSCCVLEQH-UHFFFAOYSA-N
XLogP5.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol?
The IUPAC name of [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol (CID 68547710) is [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol.
What is the SMILES notation for [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol?
The canonical SMILES for [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol is CC1=CCC(c2ccc3ccccc3c2-c2ccccc2CO)=C1.
What is the InChIKey of [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol?
The InChIKey is SATXAHSCCVLEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O/c1-16-10-11-18(14-16)22-13-12-17-6-2-4-8-20(17)23(22)21-9-5-3-7-19(21)15-24/h2-10,12-14,24H,11,15H2,1H3.
What are the key properties of [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol?
[2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol has a molecular weight of 312.41 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylcyclopenta-1,3-dien-1-yl)naphthalen-1-yl]phenyl]methanol is sourced from PubChem (CID 68547710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).