1,6-diphenylhexane-2,5-diol

C18H22O2 — CID 15072586

IUPAC1,6-diphenylhexane-2,5-diol
SMILESOC(CCC(O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22O2/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyAWGCPWVYVBMMBT-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.97
Rot. Bonds7

About 1,6-diphenylhexane-2,5-diol

1,6-diphenylhexane-2,5-diol (PubChem CID 15072586) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1,6-diphenylhexane-2,5-diol.

Molecular Properties

Compound Name1,6-diphenylhexane-2,5-diol
PubChem CID15072586
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name1,6-diphenylhexane-2,5-diol
SMILESOC(CCC(O)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H22O2/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2
InChIKeyAWGCPWVYVBMMBT-UHFFFAOYSA-N
XLogP2.97
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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[(2R)-1,5-dihydroxy-6-phenylhexan-2-yl]carbamic acid
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(2S,4R)-1-phenyloct-7-ene-2,4-diol
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1,5-diphenylpentane-2,4-diol;2,2,8,8-tetramethylnonane-3,7-diol
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1-(4-methylphenyl)-5-phenylpentan-2-ol
CID 62606393
4-(3-methylphenyl)-1-phenylbutan-2-ol
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(2R)-1-phenylpent-4-en-2-ol
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(3R)-3-hydroxy-4-phenylbutanal
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Frequently Asked Questions

What is the IUPAC name of 1,6-diphenylhexane-2,5-diol?
The IUPAC name of 1,6-diphenylhexane-2,5-diol (CID 15072586) is 1,6-diphenylhexane-2,5-diol.
What is the SMILES notation for 1,6-diphenylhexane-2,5-diol?
The canonical SMILES for 1,6-diphenylhexane-2,5-diol is OC(CCC(O)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,6-diphenylhexane-2,5-diol?
The InChIKey is AWGCPWVYVBMMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c19-17(13-15-7-3-1-4-8-15)11-12-18(20)14-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2.
What are the key properties of 1,6-diphenylhexane-2,5-diol?
1,6-diphenylhexane-2,5-diol has a molecular weight of 270.37 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-diphenylhexane-2,5-diol is sourced from PubChem (CID 15072586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).