cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol

C17H24O — CID 134902369

IUPACcis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol
SMILES[2H]C1(O)C[C@@H](C2CCCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H24O/c18-17-12-15(13-7-3-1-4-8-13)11-16(17)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2/t15-,16+,17?/m0/s1/i17D
InChIKeyOHXFIZILAZDZDK-POZRFRIDSA-N
MW245.38 g/mol
LogP4.12
Rot. Bonds2

About cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol

cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol (PubChem CID 134902369) has the molecular formula C17H24O and a molecular weight of 245.38 g/mol. Its IUPAC name is cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol.

Molecular Properties

Compound Namecis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol
PubChem CID134902369
Molecular FormulaC17H24O
Molecular Weight245.38 g/mol
Exact Mass245.19
IUPAC Namecis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol
SMILES[2H]C1(O)C[C@@H](C2CCCCC2)C[C@@H]1c1ccccc1
InChIInChI=1S/C17H24O/c18-17-12-15(13-7-3-1-4-8-13)11-16(17)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2/t15-,16+,17?/m0/s1/i17D
InChIKeyOHXFIZILAZDZDK-POZRFRIDSA-N
XLogP4.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 102585788
(1S,4aR,8R,8aR)-8-phenyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 10609515
benzene;cyclohexylcyclohexane
CID 160520949
4-cyclohexylcyclohexan-1-ol;toluene;hydrate
CID 142076713
(1R,2R,3R,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 98598015
(1R,2R,3S,6S)-3,6-diphenylcyclohexane-1,2-diol
CID 124792855
2-phenyl-1,2,3,3a,4,5,6,6a-octahydropentalen-1-amine
CID 167142843
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
cyclohexylbenzene;hydrogen peroxide;hydrate
CID 174910153
1,1'-biphenyl;cyclohexanol
CID 142137438
1-bromo-2-phenylcycloheptane
CID 63510810
1,1'-biphenyl;cyclohexylbenzene
CID 141106050

Frequently Asked Questions

What is the IUPAC name of cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol?
The IUPAC name of cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol (CID 134902369) is cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol.
What is the SMILES notation for cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol?
The canonical SMILES for cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol is [2H]C1(O)C[C@@H](C2CCCCC2)C[C@@H]1c1ccccc1.
What is the InChIKey of cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol?
The InChIKey is OHXFIZILAZDZDK-POZRFRIDSA-N. The full InChI is InChI=1S/C17H24O/c18-17-12-15(13-7-3-1-4-8-13)11-16(17)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-18H,1,3-4,7-8,11-12H2/t15-,16+,17?/m0/s1/i17D.
What are the key properties of cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol?
cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol has a molecular weight of 245.38 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,4S)-4-cyclohexyl-1-deuterio-2-phenylcyclopentan-1-ol is sourced from PubChem (CID 134902369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).