(3S)-3-methoxy-3,4-diphenylbutan-1-ol

C17H20O2 — CID 11817715

IUPAC(3S)-3-methoxy-3,4-diphenylbutan-1-ol
SMILESCO[C@](CCO)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-19-17(12-13-18,16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3/t17-/m1/s1
InChIKeyVPYNAULRRFPEDJ-QGZVFWFLSA-N
MW256.35 g/mol
LogP3.15
Rot. Bonds6

About (3S)-3-methoxy-3,4-diphenylbutan-1-ol

(3S)-3-methoxy-3,4-diphenylbutan-1-ol (PubChem CID 11817715) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-3-methoxy-3,4-diphenylbutan-1-ol.

Molecular Properties

Compound Name(3S)-3-methoxy-3,4-diphenylbutan-1-ol
PubChem CID11817715
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name(3S)-3-methoxy-3,4-diphenylbutan-1-ol
SMILESCO[C@](CCO)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-19-17(12-13-18,16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3/t17-/m1/s1
InChIKeyVPYNAULRRFPEDJ-QGZVFWFLSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139708431
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3-methyl-3-phenylpentane-1,5-diol
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3-methoxy-4,5,5-triphenylpentane-1,3,4-triol
CID 67817845
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
CID 79450709
3-benzyl-3-methoxy-4-phenylbutan-2-one
CID 150312877
2-benzyl-3-methoxy-2-phenylpropan-1-amine
CID 139652108
(3R)-3-amino-3-phenylbutan-1-ol
CID 96656008
4-methoxy-3-(methylamino)-3-phenylbutan-1-ol
CID 103466320
methoxy-phenyl-phenylmethoxymethanol
CID 168654991

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-3,4-diphenylbutan-1-ol?
The IUPAC name of (3S)-3-methoxy-3,4-diphenylbutan-1-ol (CID 11817715) is (3S)-3-methoxy-3,4-diphenylbutan-1-ol.
What is the SMILES notation for (3S)-3-methoxy-3,4-diphenylbutan-1-ol?
The canonical SMILES for (3S)-3-methoxy-3,4-diphenylbutan-1-ol is CO[C@](CCO)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (3S)-3-methoxy-3,4-diphenylbutan-1-ol?
The InChIKey is VPYNAULRRFPEDJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20O2/c1-19-17(12-13-18,16-10-6-3-7-11-16)14-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-3-methoxy-3,4-diphenylbutan-1-ol?
(3S)-3-methoxy-3,4-diphenylbutan-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-3,4-diphenylbutan-1-ol is sourced from PubChem (CID 11817715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).