1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol

C15H22O4 — CID 141393277

IUPAC1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol
SMILESOCC(CO)C1(O)CCCC(O)C1c1ccccc1
InChIInChI=1S/C15H22O4/c16-9-12(10-17)15(19)8-4-7-13(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,12-14,16-19H,4,7-10H2
InChIKeyBAWXZPSSKMXMQP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.65
Rot. Bonds4

About 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol

1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol (PubChem CID 141393277) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol
PubChem CID141393277
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol
SMILESOCC(CO)C1(O)CCCC(O)C1c1ccccc1
InChIInChI=1S/C15H22O4/c16-9-12(10-17)15(19)8-4-7-13(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,12-14,16-19H,4,7-10H2
InChIKeyBAWXZPSSKMXMQP-UHFFFAOYSA-N
XLogP0.65
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2S)-1-[(2R)-but-3-en-2-yl]-2-phenylcyclohexan-1-ol
CID 102289513
(1S,2S,3R)-1-(hydroxymethyl)cyclohexane-1,2,3-triol
CID 100932205
1-(1-aminopentan-2-yl)-2-phenylcyclohexan-1-ol
CID 79415426
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
(1S,2R,3S,6S)-3-ethenyl-3-methyl-2-phenyl-6-prop-1-en-2-ylcyclohexan-1-ol
CID 11357317
1-[(1R,5S,6S)-6-phenyl-1-bicyclo[3.1.0]hexanyl]pyrrolidine
CID 11085524
1-(2-methylbutyl)-2-phenylcyclohexan-1-ol
CID 65147898
2-(1-hydroxy-2-phenylcyclohexyl)-3-methylbutanoic acid
CID 105403267
2-amino-1-(1-phenylethyl)cyclopentan-1-ol
CID 67750994
2-[(2-hydroxy-1-phenylethyl)amino]cyclohexan-1-ol
CID 63183129
cis-(1S,6S)-1-(2-hydroxyethyl)-6-phenylcyclohexane-1,2-diol
CID 10561805
cis-(1S,2R)-3,3-difluoro-2-[(2S)-2-phenylpropyl]cyclohexan-1-ol
CID 163503676

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol (CID 141393277) is 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol is OCC(CO)C1(O)CCCC(O)C1c1ccccc1.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol?
The InChIKey is BAWXZPSSKMXMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c16-9-12(10-17)15(19)8-4-7-13(18)14(15)11-5-2-1-3-6-11/h1-3,5-6,12-14,16-19H,4,7-10H2.
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol?
1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol has a molecular weight of 266.34 g/mol, XLogP of 0.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-2-phenylcyclohexane-1,3-diol is sourced from PubChem (CID 141393277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).