1-cyclopenta-2,4-dien-1-yl-1-phenylethanol

C13H14O — CID 12574787

IUPAC1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1C=CC=C1
InChIInChI=1S/C13H14O/c1-13(14,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-10,12,14H,1H3
InChIKeyHBEFAYBNWVVBKH-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.64
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol

1-cyclopenta-2,4-dien-1-yl-1-phenylethanol (PubChem CID 12574787) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
PubChem CID12574787
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
SMILESCC(O)(c1ccccc1)C1C=CC=C1
InChIInChI=1S/C13H14O/c1-13(14,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-10,12,14H,1H3
InChIKeyHBEFAYBNWVVBKH-UHFFFAOYSA-N
XLogP2.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)benzene
CID 141345975
2-cyclopenta-2,4-dien-1-yl-4-phenylbut-3-yn-2-ol
CID 12977900
2-cyclopenta-2,4-dien-1-ylpropan-2-ol
CID 12574784
magnesium;hydride;2-phenylpropan-2-ol
CID 175301380
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
(2-cyclopenta-2,4-dien-1-yl-2-methyl-1-phenylpropyl)benzene
CID 131720872
2-cyclopenta-2,4-dien-1-ylpropan-2-yloxybenzene
CID 167432973
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
1-(1-cyclopenta-2,4-dien-1-yl-1-phenylethyl)-1H-indene
CID 139709796
tert-butylbenzene;methanimine
CID 174908280
1-[2-(1-hydroxy-1-phenylethyl)phenyl]-1-phenylethanol
CID 139663259

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol (CID 12574787) is 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol is CC(O)(c1ccccc1)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
The InChIKey is HBEFAYBNWVVBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-13(14,12-9-5-6-10-12)11-7-3-2-4-8-11/h2-10,12,14H,1H3.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol?
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol has a molecular weight of 186.25 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-1-phenylethanol is sourced from PubChem (CID 12574787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).