(3R)-4,4-dimethyl-1-phenylpentan-3-ol

C13H20O — CID 53244616

IUPAC(3R)-4,4-dimethyl-1-phenylpentan-3-ol
SMILESCC(C)(C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C13H20O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyVRJGMOZPVOHGFP-GFCCVEGCSA-N
MW192.30 g/mol
LogP3.03
Rot. Bonds3

About (3R)-4,4-dimethyl-1-phenylpentan-3-ol

(3R)-4,4-dimethyl-1-phenylpentan-3-ol (PubChem CID 53244616) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is (3R)-4,4-dimethyl-1-phenylpentan-3-ol.

Molecular Properties

Compound Name(3R)-4,4-dimethyl-1-phenylpentan-3-ol
PubChem CID53244616
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name(3R)-4,4-dimethyl-1-phenylpentan-3-ol
SMILESCC(C)(C)[C@H](O)CCc1ccccc1
InChIInChI=1S/C13H20O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1
InChIKeyVRJGMOZPVOHGFP-GFCCVEGCSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3,3-dimethyl-1-phenylbutan-2-ol
CID 12689722
(3-tert-butyl-4,4-dimethylpentyl)benzene
CID 54223968
3,3-dimethyl-1-phenylbutan-2-ol
CID 5051506
(4R,6R)-4,6-dihydroxy-5,5-dimethyl-8-phenyloctanenitrile
CID 15786597
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
(2S,3S)-1,1-dimethoxy-2-methyl-2,5-diphenylpentan-3-ol
CID 101441637
4-methyl-1-phenyl-4-pyrrolidin-1-ylpentan-3-ol
CID 79056520
4,4-dimethyl-1-[2-(trifluoromethyl)phenyl]pentan-3-ol
CID 64514191
1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol
CID 69306301
1,5-diphenylpentan-3-ol;hydrochloride
CID 139805992
(3R,4R)-1,6-diphenylhexane-3,4-diol;dihydrochloride
CID 67941860
4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
CID 79045884

Frequently Asked Questions

What is the IUPAC name of (3R)-4,4-dimethyl-1-phenylpentan-3-ol?
The IUPAC name of (3R)-4,4-dimethyl-1-phenylpentan-3-ol (CID 53244616) is (3R)-4,4-dimethyl-1-phenylpentan-3-ol.
What is the SMILES notation for (3R)-4,4-dimethyl-1-phenylpentan-3-ol?
The canonical SMILES for (3R)-4,4-dimethyl-1-phenylpentan-3-ol is CC(C)(C)[C@H](O)CCc1ccccc1.
What is the InChIKey of (3R)-4,4-dimethyl-1-phenylpentan-3-ol?
The InChIKey is VRJGMOZPVOHGFP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O/c1-13(2,3)12(14)10-9-11-7-5-4-6-8-11/h4-8,12,14H,9-10H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-4,4-dimethyl-1-phenylpentan-3-ol?
(3R)-4,4-dimethyl-1-phenylpentan-3-ol has a molecular weight of 192.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4-dimethyl-1-phenylpentan-3-ol is sourced from PubChem (CID 53244616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).