[2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol

C14H16O — CID 141066970

IUPAC[2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
SMILESCC1=C(C)C(c2ccccc2CO)C=C1
InChIInChI=1S/C14H16O/c1-10-7-8-13(11(10)2)14-6-4-3-5-12(14)9-15/h3-8,13,15H,9H2,1-2H3
InChIKeySKPHMMAPRYPZJS-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.17
Rot. Bonds2

About [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol

[2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol (PubChem CID 141066970) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
PubChem CID141066970
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol
SMILESCC1=C(C)C(c2ccccc2CO)C=C1
InChIInChI=1S/C14H16O/c1-10-7-8-13(11(10)2)14-6-4-3-5-12(14)9-15/h3-8,13,15H,9H2,1-2H3
InChIKeySKPHMMAPRYPZJS-UHFFFAOYSA-N
XLogP3.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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[2-(hydroxymethyl)phenyl]methanol;methane
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[2-[(1R,2R)-2-aminocyclopentyl]phenyl]methanol
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[2-(1-chloropiperidin-4-yl)phenyl]methanol
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[2-(oxolan-2-yl)phenyl]methanol
CID 156806092
[4-[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]phenyl]methanol
CID 175240515
3-hydroxy-4-[2-(hydroxymethyl)phenyl]-3-propan-2-yloxolane-2,5-dione
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[1-(hydroxymethyl)-9H-fluoren-9-yl]boronic acid
CID 54251333
[4-[(2-methylphenyl)methyl]phenyl]methanol
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CID 137424646

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
The IUPAC name of [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol (CID 141066970) is [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol.
What is the SMILES notation for [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
The canonical SMILES for [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol is CC1=C(C)C(c2ccccc2CO)C=C1.
What is the InChIKey of [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
The InChIKey is SKPHMMAPRYPZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O/c1-10-7-8-13(11(10)2)14-6-4-3-5-12(14)9-15/h3-8,13,15H,9H2,1-2H3.
What are the key properties of [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol?
[2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol has a molecular weight of 200.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanol is sourced from PubChem (CID 141066970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).