(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol

C8H11ClO — CID 175335226

IUPAC(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol
SMILESCC[C@]1(O)C=CC=CC1Cl
InChIInChI=1S/C8H11ClO/c1-2-8(10)6-4-3-5-7(8)9/h3-7,10H,2H2,1H3/t7?,8-/m0/s1
InChIKeyPJXWGYSCCSCVBF-MQWKRIRWSA-N
MW158.63 g/mol
LogP1.86
Rot. Bonds1

About (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol

(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol (PubChem CID 175335226) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol
PubChem CID175335226
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol
SMILESCC[C@]1(O)C=CC=CC1Cl
InChIInChI=1S/C8H11ClO/c1-2-8(10)6-4-3-5-7(8)9/h3-7,10H,2H2,1H3/t7?,8-/m0/s1
InChIKeyPJXWGYSCCSCVBF-MQWKRIRWSA-N
XLogP1.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-6-methoxycyclohexa-2,4-dien-1-ol
CID 70477137
6-chloro-6-ethylcyclohexa-2,4-dien-1-ol
CID 154395848
1-ethyl-6-(1-phenylethyl)cyclohexa-2,4-dien-1-ol
CID 141344343
1-ethyl-6-(2-methoxyphenoxy)cyclohexa-2,4-dien-1-ol
CID 175091803
6-chlorocyclohexa-2,4-diene-1,1-diamine
CID 174711807
1-(1,6-dichlorocyclohexa-2,4-dien-1-yl)ethanone
CID 150946013
6-chloro-1-methylcyclohexa-2,4-diene-1-carboxamide
CID 150992639
6-butyl-6-hydroxycyclohexa-2,4-diene-1-carbaldehyde
CID 87076835
1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
CID 174381773
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
5,6-dichloro-5-[(1,6-dichlorocyclohexa-2,4-dien-1-yl)disulfanyl]cyclohexa-1,3-diene
CID 175564922
(1R,2R)-1-methylcyclohexa-3,5-diene-1,2-diol
CID 11622337

Frequently Asked Questions

What is the IUPAC name of (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol (CID 175335226) is (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol is CC[C@]1(O)C=CC=CC1Cl.
What is the InChIKey of (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol?
The InChIKey is PJXWGYSCCSCVBF-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H11ClO/c1-2-8(10)6-4-3-5-7(8)9/h3-7,10H,2H2,1H3/t7?,8-/m0/s1.
What are the key properties of (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol?
(1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol has a molecular weight of 158.63 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-chloro-1-ethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 175335226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).