(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol

C14H20O — CID 124508976

IUPAC(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@](O)(c2ccccc2)[C@H](C)C1
InChIInChI=1S/C14H20O/c1-11-8-9-14(15,12(2)10-11)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-,14+/m1/s1
InChIKeyZFLVDPHCAQURFU-BZPMIXESSA-N
MW204.31 g/mol
LogP3.33
Rot. Bonds1

About (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol

(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol (PubChem CID 124508976) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
PubChem CID124508976
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
SMILESC[C@@H]1CC[C@@](O)(c2ccccc2)[C@H](C)C1
InChIInChI=1S/C14H20O/c1-11-8-9-14(15,12(2)10-11)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-,14+/m1/s1
InChIKeyZFLVDPHCAQURFU-BZPMIXESSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol?
The IUPAC name of (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol (CID 124508976) is (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol.
What is the SMILES notation for (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol?
The canonical SMILES for (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol is C[C@@H]1CC[C@@](O)(c2ccccc2)[C@H](C)C1.
What is the InChIKey of (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol?
The InChIKey is ZFLVDPHCAQURFU-BZPMIXESSA-N. The full InChI is InChI=1S/C14H20O/c1-11-8-9-14(15,12(2)10-11)13-6-4-3-5-7-13/h3-7,11-12,15H,8-10H2,1-2H3/t11-,12-,14+/m1/s1.
What are the key properties of (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol?
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol has a molecular weight of 204.31 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol is sourced from PubChem (CID 124508976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).