(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol

C13H15ClO2 — CID 146166066

IUPAC(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol
SMILESCOC1=C(c2ccccc2Cl)CCC[C@@H]1O
InChIInChI=1S/C13H15ClO2/c1-16-13-10(6-4-8-12(13)15)9-5-2-3-7-11(9)14/h2-3,5,7,12,15H,4,6,8H2,1H3/t12-/m0/s1
InChIKeyNDQGWDFYHUURBI-LBPRGKRZSA-N
MW238.71 g/mol
LogP3.24
Rot. Bonds2

About (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol

(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol (PubChem CID 146166066) has the molecular formula C13H15ClO2 and a molecular weight of 238.71 g/mol. Its IUPAC name is (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol
PubChem CID146166066
Molecular FormulaC13H15ClO2
Molecular Weight238.71 g/mol
Exact Mass238.08
IUPAC Name(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol
SMILESCOC1=C(c2ccccc2Cl)CCC[C@@H]1O
InChIInChI=1S/C13H15ClO2/c1-16-13-10(6-4-8-12(13)15)9-5-2-3-7-11(9)14/h2-3,5,7,12,15H,4,6,8H2,1H3/t12-/m0/s1
InChIKeyNDQGWDFYHUURBI-LBPRGKRZSA-N
XLogP3.24
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.71
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol?
The IUPAC name of (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol (CID 146166066) is (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol.
What is the SMILES notation for (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol?
The canonical SMILES for (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol is COC1=C(c2ccccc2Cl)CCC[C@@H]1O.
What is the InChIKey of (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol?
The InChIKey is NDQGWDFYHUURBI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15ClO2/c1-16-13-10(6-4-8-12(13)15)9-5-2-3-7-11(9)14/h2-3,5,7,12,15H,4,6,8H2,1H3/t12-/m0/s1.
What are the key properties of (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol?
(1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol has a molecular weight of 238.71 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-ol is sourced from PubChem (CID 146166066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).