(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol

C13H16O — CID 167268356

IUPAC(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol
SMILESCC1=C(c2ccccc2)CCC[C@H]1O
InChIInChI=1S/C13H16O/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-9H2,1H3/t13-/m1/s1
InChIKeyCIUNPABFDMONSF-CYBMUJFWSA-N
MW188.27 g/mol
LogP3.00
Rot. Bonds1

About (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol

(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol (PubChem CID 167268356) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol
PubChem CID167268356
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol
SMILESCC1=C(c2ccccc2)CCC[C@H]1O
InChIInChI=1S/C13H16O/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-9H2,1H3/t13-/m1/s1
InChIKeyCIUNPABFDMONSF-CYBMUJFWSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol?
The IUPAC name of (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol (CID 167268356) is (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol.
What is the SMILES notation for (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol?
The canonical SMILES for (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol is CC1=C(c2ccccc2)CCC[C@H]1O.
What is the InChIKey of (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol?
The InChIKey is CIUNPABFDMONSF-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16O/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-4,6-7,13-14H,5,8-9H2,1H3/t13-/m1/s1.
What are the key properties of (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol?
(1R)-2-methyl-3-phenylcyclohex-2-en-1-ol has a molecular weight of 188.27 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-methyl-3-phenylcyclohex-2-en-1-ol is sourced from PubChem (CID 167268356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).