(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol

C18H22O2 — CID 101011502

IUPAC(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
SMILESC[C@@H]([C@H](O)c1ccccc1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C18H22O2/c1-14(18(20)16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,14,17-20H,12-13H2,1H3/t14-,17+,18+/m1/s1
InChIKeyBDHHZBRQLXUHOR-JLSDUUJJSA-N
MW270.37 g/mol
LogP3.35
Rot. Bonds6

About (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol

(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol (PubChem CID 101011502) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol.

Molecular Properties

Compound Name(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
PubChem CID101011502
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol
SMILESC[C@@H]([C@H](O)c1ccccc1)[C@@H](O)CCc1ccccc1
InChIInChI=1S/C18H22O2/c1-14(18(20)16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,14,17-20H,12-13H2,1H3/t14-,17+,18+/m1/s1
InChIKeyBDHHZBRQLXUHOR-JLSDUUJJSA-N
XLogP3.35
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4S)-4-methyl-1-phenylhex-5-en-3-ol
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(E,3R,4S)-4,7-dimethyl-1-phenyloct-5-en-3-ol
CID 71658091
2-amino-1,4-diphenylbutan-1-ol
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(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
4-(aminomethyl)-1-phenylhexan-3-ol
CID 65187755
1-phenyl-2-(2-phenylethylamino)propan-1-ol
CID 14813307
(E,3R,4R)-4-methyl-1-phenyl-7-trimethylsilylhept-5-en-3-ol
CID 101106671

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol?
The IUPAC name of (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol (CID 101011502) is (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol.
What is the SMILES notation for (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol?
The canonical SMILES for (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol is C[C@@H]([C@H](O)c1ccccc1)[C@@H](O)CCc1ccccc1.
What is the InChIKey of (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol?
The InChIKey is BDHHZBRQLXUHOR-JLSDUUJJSA-N. The full InChI is InChI=1S/C18H22O2/c1-14(18(20)16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,14,17-20H,12-13H2,1H3/t14-,17+,18+/m1/s1.
What are the key properties of (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol?
(1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol has a molecular weight of 270.37 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S)-2-methyl-1,5-diphenylpentane-1,3-diol is sourced from PubChem (CID 101011502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).