diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol

C24H34O3 — CID 161059574

IUPACdiphenylmethanone;4-ethyl-4-methyloctane-3,5-diol
SMILESCCCC(O)C(C)(CC)C(O)CC.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C11H24O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-8-10(13)11(4,7-3)9(12)6-2/h1-10H;9-10,12-13H,5-8H2,1-4H3
InChIKeyUDFJLDDAIKCVON-UHFFFAOYSA-N
MW370.53 g/mol
LogP5.25
Rot. Bonds8

About diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol

diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol (PubChem CID 161059574) has the molecular formula C24H34O3 and a molecular weight of 370.53 g/mol. Its IUPAC name is diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol.

Molecular Properties

Compound Namediphenylmethanone;4-ethyl-4-methyloctane-3,5-diol
PubChem CID161059574
Molecular FormulaC24H34O3
Molecular Weight370.53 g/mol
Exact Mass370.25
IUPAC Namediphenylmethanone;4-ethyl-4-methyloctane-3,5-diol
SMILESCCCC(O)C(C)(CC)C(O)CC.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H10O.C11H24O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-8-10(13)11(4,7-3)9(12)6-2/h1-10H;9-10,12-13H,5-8H2,1-4H3
InChIKeyUDFJLDDAIKCVON-UHFFFAOYSA-N
XLogP5.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.53
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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diphenylmethanone;3-methylheptane
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benzoic acid;2,2-dimethylpentane-1,3-diol
CID 66725246
butane;(4-hydroxyphenyl)-phenylmethanone
CID 70634619
2-(4-benzoylphenyl)butanoic acid
CID 22621594
diphenylmethanone;propan-1-amine
CID 174497329
benzoic acid;4-methyloctane-3,4-diol
CID 69100212
butane-2,3-diol;diphenylmethanone
CID 175235923
(5-benzoyloxy-4,4-dimethyloctan-3-yl) benzoate
CID 23125988
diphenylmethanone;ethane
CID 158014879

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol?
The IUPAC name of diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol (CID 161059574) is diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol.
What is the SMILES notation for diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol?
The canonical SMILES for diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol is CCCC(O)C(C)(CC)C(O)CC.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol?
The InChIKey is UDFJLDDAIKCVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C11H24O2/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-5-8-10(13)11(4,7-3)9(12)6-2/h1-10H;9-10,12-13H,5-8H2,1-4H3.
What are the key properties of diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol?
diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol has a molecular weight of 370.53 g/mol, XLogP of 5.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;4-ethyl-4-methyloctane-3,5-diol is sourced from PubChem (CID 161059574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).