(4R)-2,2-dimethyl-4-phenylpentan-1-ol

C13H20O — CID 135189920

IUPAC(4R)-2,2-dimethyl-4-phenylpentan-1-ol
SMILESC[C@H](CC(C)(C)CO)c1ccccc1
InChIInChI=1S/C13H20O/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyJDJBOCUNMOASPQ-LLVKDONJSA-N
MW192.30 g/mol
LogP3.20
Rot. Bonds4

About (4R)-2,2-dimethyl-4-phenylpentan-1-ol

(4R)-2,2-dimethyl-4-phenylpentan-1-ol (PubChem CID 135189920) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-phenylpentan-1-ol.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-phenylpentan-1-ol
PubChem CID135189920
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(4R)-2,2-dimethyl-4-phenylpentan-1-ol
SMILESC[C@H](CC(C)(C)CO)c1ccccc1
InChIInChI=1S/C13H20O/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyJDJBOCUNMOASPQ-LLVKDONJSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-2-methyl-4-phenylpentan-2-ol
CID 129361688
(2R,4R)-2-methyl-2,4-diphenylpentanoic acid
CID 139765294
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
2,2,2-trifluoroethyl 2,2-dimethyl-4-phenylpentanoate
CID 59426568
(4-methyl-4-methylsulfonylpentan-2-yl)benzene
CID 134582598
2,2-dimethyl-3,3-diphenylpropan-1-ol
CID 15315706
ethyl 4,4-dimethyl-2-methylidene-6-phenylheptanoate
CID 164668614
2-methyl-5-phenylhexan-2-ol
CID 12716609
2,2-dimethyl-5-(1-phenylethylamino)pentan-1-ol
CID 111522029
2-methyl-2-(1-phenylethylamino)propan-1-ol
CID 60720568
benzene;2,2-dimethylpropane-1,3-diol
CID 162098096

Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-phenylpentan-1-ol?
The IUPAC name of (4R)-2,2-dimethyl-4-phenylpentan-1-ol (CID 135189920) is (4R)-2,2-dimethyl-4-phenylpentan-1-ol.
What is the SMILES notation for (4R)-2,2-dimethyl-4-phenylpentan-1-ol?
The canonical SMILES for (4R)-2,2-dimethyl-4-phenylpentan-1-ol is C[C@H](CC(C)(C)CO)c1ccccc1.
What is the InChIKey of (4R)-2,2-dimethyl-4-phenylpentan-1-ol?
The InChIKey is JDJBOCUNMOASPQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20O/c1-11(9-13(2,3)10-14)12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-phenylpentan-1-ol?
(4R)-2,2-dimethyl-4-phenylpentan-1-ol has a molecular weight of 192.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-phenylpentan-1-ol is sourced from PubChem (CID 135189920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).