(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

C23H30O2 — CID 10925802

IUPAC(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2/c1-17(2)21-15-14-18(3)16-22(21,24)23(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21,24-25H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
InChIKeyDYMJPKVZTLUAGM-COPCDDAFSA-N
MW338.49 g/mol
LogP4.75
Rot. Bonds4

About (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol

(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (PubChem CID 10925802) has the molecular formula C23H30O2 and a molecular weight of 338.49 g/mol. Its IUPAC name is (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
PubChem CID10925802
Molecular FormulaC23H30O2
Molecular Weight338.49 g/mol
Exact Mass338.22
IUPAC Name(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O2/c1-17(2)21-15-14-18(3)16-22(21,24)23(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21,24-25H,14-16H2,1-3H3/t18-,21+,22+/m1/s1
InChIKeyDYMJPKVZTLUAGM-COPCDDAFSA-N
XLogP4.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

1-hydroxy-5-methyl-2-propan-2-yl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)cyclohexane-1-carboxamide
CID 175745100
(1S,2S,5R)-1-[6-[(1S,2S,5R)-1-hydroxy-5-methyl-2-propan-2-ylcyclohexyl]-2-pyridinyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 101183743
5-methyl-1-(2-phenylcyclopropyl)-2-propan-2-ylcyclohexan-1-ol
CID 116516687
(1R,2R,5S)-1-(6-bromo-2-pyridinyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 100993924
1-[(2-fluorophenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 54919417
(1S,2S,5R)-1-[dichloro-(4-methoxyphenyl)sulfinylmethyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 102523112
1-[2-amino-1-(2-aminopropanoylamino)-2-oxo-1-phenylethyl]-5-methyl-2-propan-2-ylcyclohexane-1-carboxylic acid
CID 66831554
[1-(2-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428170
1-(2-cyclobutylphenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 114601039
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
[5-methyl-1-(3-methylanilino)-2-propan-2-ylcyclohexyl]methanol
CID 63428303
[1-(3-chloroanilino)-5-methyl-2-propan-2-ylcyclohexyl]methanol
CID 63428390

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol (CID 10925802) is (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@@H]1CC[C@@H](C)C[C@@]1(O)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is DYMJPKVZTLUAGM-COPCDDAFSA-N. The full InChI is InChI=1S/C23H30O2/c1-17(2)21-15-14-18(3)16-22(21,24)23(25,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,17-18,21,24-25H,14-16H2,1-3H3/t18-,21+,22+/m1/s1.
What are the key properties of (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol?
(1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 338.49 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5R)-1-[hydroxy(diphenyl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 10925802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).