[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol

C14H16O — CID 141234682

IUPAC[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCc1ccc([C@@]2(CO)C=CC=CC2)cc1
InChIInChI=1S/C14H16O/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h2-9,15H,10-11H2,1H3/t14-/m0/s1
InChIKeyQBTUXXZAXRCDHF-AWEZNQCLSA-N
MW200.28 g/mol
LogP2.74
Rot. Bonds2

About [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol

[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 141234682) has the molecular formula C14H16O and a molecular weight of 200.28 g/mol. Its IUPAC name is [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID141234682
Molecular FormulaC14H16O
Molecular Weight200.28 g/mol
Exact Mass200.12
IUPAC Name[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCc1ccc([C@@]2(CO)C=CC=CC2)cc1
InChIInChI=1S/C14H16O/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h2-9,15H,10-11H2,1H3/t14-/m0/s1
InChIKeyQBTUXXZAXRCDHF-AWEZNQCLSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
CID 141234694
[1-(4-methyl-1H-pyrrol-2-yl)cyclohexa-2,4-dien-1-yl]methanol
CID 172555848
(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
CID 151274526
2-(1-ethylcyclohexa-2,4-dien-1-yl)-1,4-dimethylbenzene
CID 175474100
2-(1-phenylcyclohexa-2,4-dien-1-yl)ethanamine
CID 141124285
1-(chloromethyl)-4-[1-(chloromethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 150971414
2-chloro-4-methyl-1-[1-(2-phenylethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 175829349
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
1-[(1R)-1-ethylcyclohexa-2,4-dien-1-yl]-2,5-dimethylpyrrole
CID 175362823
[2-(4-methylphenyl)-1,3-dioxolan-2-yl]methanol
CID 55253379
ethane;4-[1-(4-hydroxyphenyl)cyclohexa-2,4-dien-1-yl]phenol
CID 159421128

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol (CID 141234682) is [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol is Cc1ccc([C@@]2(CO)C=CC=CC2)cc1.
What is the InChIKey of [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is QBTUXXZAXRCDHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O/c1-12-5-7-13(8-6-12)14(11-15)9-3-2-4-10-14/h2-9,15H,10-11H2,1H3/t14-/m0/s1.
What are the key properties of [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol?
[(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 200.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 141234682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).