(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol

C13H16O — CID 129364913

IUPAC(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol
SMILESCc1cccc([C@]23CC[C@H](O)[C@H]2C3)c1
InChIInChI=1S/C13H16O/c1-9-3-2-4-10(7-9)13-6-5-12(14)11(13)8-13/h2-4,7,11-12,14H,5-6,8H2,1H3/t11-,12+,13-/m1/s1
InChIKeyAHFKBDSFFQKVAH-FRRDWIJNSA-N
MW188.27 g/mol
LogP2.41
Rot. Bonds1

About (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol

(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol (PubChem CID 129364913) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol.

Molecular Properties

Compound Name(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol
PubChem CID129364913
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol
SMILESCc1cccc([C@]23CC[C@H](O)[C@H]2C3)c1
InChIInChI=1S/C13H16O/c1-9-3-2-4-10(7-9)13-6-5-12(14)11(13)8-13/h2-4,7,11-12,14H,5-6,8H2,1H3/t11-,12+,13-/m1/s1
InChIKeyAHFKBDSFFQKVAH-FRRDWIJNSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol?
The IUPAC name of (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol (CID 129364913) is (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol.
What is the SMILES notation for (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol?
The canonical SMILES for (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol is Cc1cccc([C@]23CC[C@H](O)[C@H]2C3)c1.
What is the InChIKey of (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol?
The InChIKey is AHFKBDSFFQKVAH-FRRDWIJNSA-N. The full InChI is InChI=1S/C13H16O/c1-9-3-2-4-10(7-9)13-6-5-12(14)11(13)8-13/h2-4,7,11-12,14H,5-6,8H2,1H3/t11-,12+,13-/m1/s1.
What are the key properties of (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol?
(1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-5-(3-methylphenyl)bicyclo[3.1.0]hexan-2-ol is sourced from PubChem (CID 129364913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).