(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol

C13H16O — CID 131136395

IUPAC(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
SMILESC=C1[C@H](C)C[C@@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C13H16O/c1-9-8-12(13(14)10(9)2)11-6-4-3-5-7-11/h3-7,9,12-14H,2,8H2,1H3/t9-,12+,13+/m1/s1
InChIKeyCMMUUTJHRLPMGQ-ICCXJUOJSA-N
MW188.27 g/mol
LogP2.73
Rot. Bonds1

About (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol

(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol (PubChem CID 131136395) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
PubChem CID131136395
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol
SMILESC=C1[C@H](C)C[C@@H](c2ccccc2)[C@H]1O
InChIInChI=1S/C13H16O/c1-9-8-12(13(14)10(9)2)11-6-4-3-5-7-11/h3-7,9,12-14H,2,8H2,1H3/t9-,12+,13+/m1/s1
InChIKeyCMMUUTJHRLPMGQ-ICCXJUOJSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol?
The IUPAC name of (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol (CID 131136395) is (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol.
What is the SMILES notation for (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol?
The canonical SMILES for (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol is C=C1[C@H](C)C[C@@H](c2ccccc2)[C@H]1O.
What is the InChIKey of (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol?
The InChIKey is CMMUUTJHRLPMGQ-ICCXJUOJSA-N. The full InChI is InChI=1S/C13H16O/c1-9-8-12(13(14)10(9)2)11-6-4-3-5-7-11/h3-7,9,12-14H,2,8H2,1H3/t9-,12+,13+/m1/s1.
What are the key properties of (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol?
(1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol has a molecular weight of 188.27 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R,5S)-3-methyl-2-methylidene-5-phenylcyclopentan-1-ol is sourced from PubChem (CID 131136395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).