1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one

C16H16O3 — CID 140936056

IUPAC1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C16H16O3/c17-13(16-14(18)10-5-11-15(16)19)9-4-8-12-6-2-1-3-7-12/h1-3,5-7,10-11,18-19H,4,8-9H2
InChIKeySUBKEUJHKHNLBS-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one

1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one (PubChem CID 140936056) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one
PubChem CID140936056
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)c1c(O)cccc1O
InChIInChI=1S/C16H16O3/c17-13(16-14(18)10-5-11-15(16)19)9-4-8-12-6-2-1-3-7-12/h1-3,5-7,10-11,18-19H,4,8-9H2
InChIKeySUBKEUJHKHNLBS-UHFFFAOYSA-N
XLogP3.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromo-6-fluorophenyl)-4-phenylbutan-1-one
CID 114885403
1-[3-[2-[9-(2,6-dihydroxyphenyl)-9-oxononyl]-4,5-dihydroxyphenyl]-2,6-dihydroxyphenyl]-9-phenylnonan-1-one
CID 127052219
5-phenylpentan-2-one
CID 16701
4-phenylbutanoyl chloride
CID 11789865
1-(2,6-dihydroxyphenyl)-4-(1H-indol-3-yl)butan-1-one
CID 149029934
1-(2-methylphenyl)-4-phenylbutan-1-one
CID 62621150
1-(3-methylphenyl)-4-phenylbutan-1-one
CID 54171094
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
1,9-diphenylnonan-5-one
CID 23467830
4-(4-phenylbutanoyl)benzaldehyde
CID 19754534
3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one;phenol
CID 174620006

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one (CID 140936056) is 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)c1c(O)cccc1O.
What is the InChIKey of 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one?
The InChIKey is SUBKEUJHKHNLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-13(16-14(18)10-5-11-15(16)19)9-4-8-12-6-2-1-3-7-12/h1-3,5-7,10-11,18-19H,4,8-9H2.
What are the key properties of 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one?
1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one has a molecular weight of 256.30 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dihydroxyphenyl)-4-phenylbutan-1-one is sourced from PubChem (CID 140936056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).