1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol

C17H22O4 — CID 159196107

IUPAC1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
SMILESCC(O)C(O)c1ccccc1.OCC(O)c1ccccc1
InChIInChI=1S/C9H12O2.C8H10O2/c1-7(10)9(11)8-5-3-2-4-6-8;9-6-8(10)7-4-2-1-3-5-7/h2-7,9-11H,1H3;1-5,8-10H,6H2
InChIKeyKORJIHIXRMHJBH-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.81
Rot. Bonds4

About 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol

1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol (PubChem CID 159196107) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol.

Molecular Properties

Compound Name1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
PubChem CID159196107
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol
SMILESCC(O)C(O)c1ccccc1.OCC(O)c1ccccc1
InChIInChI=1S/C9H12O2.C8H10O2/c1-7(10)9(11)8-5-3-2-4-6-8;9-6-8(10)7-4-2-1-3-5-7/h2-7,9-11H,1H3;1-5,8-10H,6H2
InChIKeyKORJIHIXRMHJBH-UHFFFAOYSA-N
XLogP1.81
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,2S,3R)-2-methyl-1-phenylbutane-1,3-diol
CID 71349785
1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
CID 117279181
(1R,3S,4R)-3-methyl-1-phenylpentane-1,4-diol
CID 134976119
1,2-diphenylethane-1,2-diol
CID 159073808
1-(3-propan-2-ylphenyl)ethane-1,2-diol
CID 155397805
2-[(2-hydroxy-2-phenylethyl)amino]propan-1-ol
CID 60886442
2-methylsulfonyl-1-phenylpropane-1,3-diol
CID 102550536
2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylazanium
CID 6955056
(2R,3R)-1-phenylbutane-1,2,3,4-tetrol
CID 66722513
(4R)-1-phenylpentane-1,4-diol
CID 13204353
(2R,4R)-4-phenylbutane-1,2,4-triol
CID 14940547
2-bromo-1-phenylpropane-1,3-diol
CID 21270529

Frequently Asked Questions

What is the IUPAC name of 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol?
The IUPAC name of 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol (CID 159196107) is 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol.
What is the SMILES notation for 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol?
The canonical SMILES for 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol is CC(O)C(O)c1ccccc1.OCC(O)c1ccccc1.
What is the InChIKey of 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol?
The InChIKey is KORJIHIXRMHJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2.C8H10O2/c1-7(10)9(11)8-5-3-2-4-6-8;9-6-8(10)7-4-2-1-3-5-7/h2-7,9-11H,1H3;1-5,8-10H,6H2.
What are the key properties of 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol?
1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol has a molecular weight of 290.36 g/mol, XLogP of 1.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethane-1,2-diol;1-phenylpropane-1,2-diol is sourced from PubChem (CID 159196107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).