2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol

C17H26O2 — CID 69422386

IUPAC2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol
SMILESCC(C)(CC(C(O)O)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H26O2/c1-17(2,14-10-4-3-5-11-14)12-15(16(18)19)13-8-6-7-9-13/h3-5,10-11,13,15-16,18-19H,6-9,12H2,1-2H3
InChIKeyMRDDKYZTNIDJBX-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.47
Rot. Bonds5

About 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol

2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol (PubChem CID 69422386) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol
PubChem CID69422386
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol
SMILESCC(C)(CC(C(O)O)C1CCCC1)c1ccccc1
InChIInChI=1S/C17H26O2/c1-17(2,14-10-4-3-5-11-14)12-15(16(18)19)13-8-6-7-9-13/h3-5,10-11,13,15-16,18-19H,6-9,12H2,1-2H3
InChIKeyMRDDKYZTNIDJBX-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-methyl-4-phenylpentan-2-ol
CID 69029171
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
N-[(2R)-4-methyl-4-phenylpentan-2-yl]cyclopropanecarboxamide
CID 95376601
1-[[(1S)-1-cycloheptylethyl]amino]-2-phenylpropan-2-ol
CID 81393030
N-(4-methyl-4-phenylpentan-2-yl)oxan-4-amine
CID 43778507
N-(2-amino-1-cyclohexylethyl)-3-methyl-3-phenylbutanamide;hydrochloride
CID 119591290
4-(cyclohexylamino)-2-phenylbutan-2-ol
CID 12512269
2-amino-4-methyl-4-phenylpentanoic acid
CID 11287233
2,4,6,8-tetramethyl-2,8-diphenylnonan-5-one
CID 150218147
2-amino-N-(2-cyclohexyl-2-hydroxyethyl)-2-phenylpropanamide
CID 120589210
(1S,3R)-1,3-diphenylbutane-1,3-diol
CID 13113333
(1R)-1-cyclopentyl-1-phenylethanol;sulfane
CID 158992083

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol?
The IUPAC name of 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol (CID 69422386) is 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol.
What is the SMILES notation for 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol?
The canonical SMILES for 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol is CC(C)(CC(C(O)O)C1CCCC1)c1ccccc1.
What is the InChIKey of 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol?
The InChIKey is MRDDKYZTNIDJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-17(2,14-10-4-3-5-11-14)12-15(16(18)19)13-8-6-7-9-13/h3-5,10-11,13,15-16,18-19H,6-9,12H2,1-2H3.
What are the key properties of 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol?
2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol has a molecular weight of 262.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-4-phenylpentane-1,1-diol is sourced from PubChem (CID 69422386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).