(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol

C19H24O2 — CID 11055205

IUPAC(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol
SMILESCC[C@](O)(Cc1ccccc1)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H24O2/c1-3-19(21,14-16-10-6-4-7-11-16)15(2)18(20)17-12-8-5-9-13-17/h4-13,15,18,20-21H,3,14H2,1-2H3/t15-,18-,19+/m1/s1
InChIKeyYJHKZWVTAARTFV-LZQZEXGQSA-N
MW284.40 g/mol
LogP3.74
Rot. Bonds6

About (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol

(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol (PubChem CID 11055205) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol.

Molecular Properties

Compound Name(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol
PubChem CID11055205
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol
SMILESCC[C@](O)(Cc1ccccc1)[C@H](C)[C@@H](O)c1ccccc1
InChIInChI=1S/C19H24O2/c1-3-19(21,14-16-10-6-4-7-11-16)15(2)18(20)17-12-8-5-9-13-17/h4-13,15,18,20-21H,3,14H2,1-2H3/t15-,18-,19+/m1/s1
InChIKeyYJHKZWVTAARTFV-LZQZEXGQSA-N
XLogP3.74
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S,3R)-3-ethyl-2,4-dimethyl-1-phenylpentane-1,3-diol
CID 101126744
(1S,2S,3S)-3-ethyl-2-methyl-1,5-diphenylpent-4-yne-1,3-diol
CID 101126743
(3S)-2-benzyl-4-phenylbutane-1,2,3-triol
CID 66810886
3-benzyl-5-methylhexan-3-ol
CID 79008448
azane;3-benzylpentan-3-ol
CID 173295411
3-benzyl-2-methyl-1-(4-methylpiperazin-1-yl)pentan-3-ol
CID 10149456
1-(dimethylamino)-3-ethyl-2-methyl-1,5-diphenylpentan-3-ol;hydrochloride
CID 139844741
ethyl 3-benzyl-2-fluoro-3-hydroxypentanoate
CID 79366919
2-amino-1-phenylbutane-2,3-diol
CID 175388454
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
CID 101011502
(2S,3R)-3-benzyl-4,4-dimethylpentane-2,3-diol
CID 10922116
3-ethyl-2-methyl-6-phenylhexan-3-ol
CID 65146545

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol?
The IUPAC name of (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol (CID 11055205) is (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol.
What is the SMILES notation for (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol?
The canonical SMILES for (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol is CC[C@](O)(Cc1ccccc1)[C@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol?
The InChIKey is YJHKZWVTAARTFV-LZQZEXGQSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-19(21,14-16-10-6-4-7-11-16)15(2)18(20)17-12-8-5-9-13-17/h4-13,15,18,20-21H,3,14H2,1-2H3/t15-,18-,19+/m1/s1.
What are the key properties of (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol?
(1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol has a molecular weight of 284.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-benzyl-2-methyl-1-phenylpentane-1,3-diol is sourced from PubChem (CID 11055205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).