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

C14H16O2 — CID 141234694

IUPAC[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCOc1ccc([C@@]2(CO)C=CC=CC2)cc1
InChIInChI=1S/C14H16O2/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h2-9,15H,10-11H2,1H3/t14-/m0/s1
InChIKeyZJAPABDBUUCGJP-AWEZNQCLSA-N
MW216.28 g/mol
LogP2.44
Rot. Bonds3

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

[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 141234694) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
PubChem CID141234694
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Name[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol
SMILESCOc1ccc([C@@]2(CO)C=CC=CC2)cc1
InChIInChI=1S/C14H16O2/c1-16-13-7-5-12(6-8-13)14(11-15)9-3-2-4-10-14/h2-9,15H,10-11H2,1H3/t14-/m0/s1
InChIKeyZJAPABDBUUCGJP-AWEZNQCLSA-N
XLogP2.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-ethylcyclohexa-2,4-dien-1-yl)benzene;methanamine
CID 174888236
1-chloro-4-(1-ethylcyclohexa-2,4-dien-1-yl)benzene
CID 151274526
bis[4-(aminomethyl)-4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]methanone
CID 175245345
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
1-(6-methoxy-3-pyridinyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 69253966
[(3S)-3-(4-methoxyphenyl)oxolan-3-yl]methanol
CID 168870342
1-methoxy-4-[1,2,2-tris(4-methoxyphenyl)cyclopropyl]benzene
CID 12846256
2-ethyl-1-(4-methoxyphenyl)cyclopropan-1-ol
CID 79332791
2-[3-(4-methoxyphenyl)-1-bicyclo[1.1.1]pentanyl]ethanol
CID 171758966
2-ethyl-2-(4-methoxyphenyl)oxirane
CID 62772995
3-methoxy-1-[(1-phenylcyclohexa-2,4-dien-1-yl)methyl]-2,3-dihydroindole
CID 22026323
[2-(4-methoxyanilino)-2-adamantyl]methanol
CID 64757082

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol (CID 141234694) is [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol is COc1ccc([C@@]2(CO)C=CC=CC2)cc1.
What is the InChIKey of [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is ZJAPABDBUUCGJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H16O2/c1-16-13-7-5-12(6-8-13)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-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol?
[(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-methoxyphenyl)cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 141234694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).