cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol

C18H18O2 — CID 10967455

IUPACcis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
SMILESC=C1C[C@@](O)(c2ccccc2)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C18H18O2/c1-14-12-17(19,15-8-4-2-5-9-15)18(20,13-14)16-10-6-3-7-11-16/h2-11,19-20H,1,12-13H2/t17-,18+
InChIKeyPLRBVHWPFQXUCF-HDICACEKSA-N
MW266.34 g/mol
LogP3.11
Rot. Bonds2

About cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol

cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol (PubChem CID 10967455) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
PubChem CID10967455
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Namecis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol
SMILESC=C1C[C@@](O)(c2ccccc2)[C@@](O)(c2ccccc2)C1
InChIInChI=1S/C18H18O2/c1-14-12-17(19,15-8-4-2-5-9-15)18(20,13-14)16-10-6-3-7-11-16/h2-11,19-20H,1,12-13H2/t17-,18+
InChIKeyPLRBVHWPFQXUCF-HDICACEKSA-N
XLogP3.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
(1R,4S)-1,4-diphenylcyclohex-2-ene-1,4-diol
CID 91116879
4-methylidene-2,2-diphenyloxolane
CID 11085790
7-phenylbicyclo[4.1.0]hepta-1,3,5-trien-7-ol
CID 87437290
(1R,2S)-1-methyl-2-phenylcyclohex-4-ene-1,2-diol
CID 10987365
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
14-phenyltetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaen-14-ol
CID 13358152
(4S)-1,3,3-trimethyl-4-phenylpiperidin-1-ium-4-ol
CID 6944225
2,2,3-trimethyl-1-phenylcyclopent-3-en-1-ol
CID 570712
(2R,3R)-1,2-dimethyl-2,3-diphenylpyrrolidin-3-ol
CID 125492615
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol (CID 10967455) is cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol is C=C1C[C@@](O)(c2ccccc2)[C@@](O)(c2ccccc2)C1.
What is the InChIKey of cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol?
The InChIKey is PLRBVHWPFQXUCF-HDICACEKSA-N. The full InChI is InChI=1S/C18H18O2/c1-14-12-17(19,15-8-4-2-5-9-15)18(20,13-14)16-10-6-3-7-11-16/h2-11,19-20H,1,12-13H2/t17-,18+.
What are the key properties of cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol?
cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol has a molecular weight of 266.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-methylidene-1,2-diphenylcyclopentane-1,2-diol is sourced from PubChem (CID 10967455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).