cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol

C12H16O — CID 12611391

IUPACcis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
SMILESC[C@@H]1CCC[C@]1(O)c1ccccc1
InChIInChI=1S/C12H16O/c1-10-6-5-9-12(10,13)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3/t10-,12-/m1/s1
InChIKeySFYGCBSEDZCQRD-ZYHUDNBSSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds1

About cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol

cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol (PubChem CID 12611391) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
PubChem CID12611391
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Namecis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol
SMILESC[C@@H]1CCC[C@]1(O)c1ccccc1
InChIInChI=1S/C12H16O/c1-10-6-5-9-12(10,13)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3/t10-,12-/m1/s1
InChIKeySFYGCBSEDZCQRD-ZYHUDNBSSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol (CID 12611391) is cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol is C[C@@H]1CCC[C@]1(O)c1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol?
The InChIKey is SFYGCBSEDZCQRD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H16O/c1-10-6-5-9-12(10,13)11-7-3-2-4-8-11/h2-4,7-8,10,13H,5-6,9H2,1H3/t10-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol?
cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol has a molecular weight of 176.26 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-methyl-1-phenylcyclopentan-1-ol is sourced from PubChem (CID 12611391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).