[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone

C16H16O3 — CID 70252178

IUPAC[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
SMILESCC(O)Cc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16O3/c1-11(17)9-12-7-8-14(15(18)10-12)16(19)13-5-3-2-4-6-13/h2-8,10-11,17-18H,9H2,1H3
InChIKeyGFBGGLFHABOGSV-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.55
Rot. Bonds4

About [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone

[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone (PubChem CID 70252178) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
PubChem CID70252178
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone
SMILESCC(O)Cc1ccc(C(=O)c2ccccc2)c(O)c1
InChIInChI=1S/C16H16O3/c1-11(17)9-12-7-8-14(15(18)10-12)16(19)13-5-3-2-4-6-13/h2-8,10-11,17-18H,9H2,1H3
InChIKeyGFBGGLFHABOGSV-UHFFFAOYSA-N
XLogP2.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzyl-2-hydroxyphenyl)-phenylmethanone
CID 135369978
[3-(4-benzoyl-3-hydroxyphenyl)-2-hydroxypropyl] 2-methylprop-2-enoate
CID 22102020
[2-hydroxy-4-(2-methoxyethyl)phenyl]-phenylmethanone
CID 175588914
(4-hexyl-2-hydroxyphenyl)-phenylmethanone
CID 139676906
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
(4-hydroperoxy-2-hydroxyphenyl)-phenylmethanone
CID 88685403
[4-(4-butoxybutyl)-2-hydroxyphenyl]-phenylmethanone
CID 58352220
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
oxalic acid;1-phenylpropan-2-ol
CID 162336088
N-(4-benzoyl-3-hydroxyphenyl)acetamide
CID 611295
methyl 4-benzoyl-3-hydroxybenzoate
CID 132545644
CID 175499515
CID 175499515

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone?
The IUPAC name of [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone (CID 70252178) is [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone is CC(O)Cc1ccc(C(=O)c2ccccc2)c(O)c1.
What is the InChIKey of [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone?
The InChIKey is GFBGGLFHABOGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(17)9-12-7-8-14(15(18)10-12)16(19)13-5-3-2-4-6-13/h2-8,10-11,17-18H,9H2,1H3.
What are the key properties of [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone?
[2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone has a molecular weight of 256.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-4-(2-hydroxypropyl)phenyl]-phenylmethanone is sourced from PubChem (CID 70252178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).