(3-dodecyl-2-hydroxyphenyl)-phenylmethanone

C25H34O2 — CID 91614049

IUPAC(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCCCCCCCc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-9-10-12-16-22-19-15-20-23(25(22)27)24(26)21-17-13-11-14-18-21/h11,13-15,17-20,27H,2-10,12,16H2,1H3
InChIKeyXSPKZYWGEKTJRS-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.09
Rot. Bonds13

About (3-dodecyl-2-hydroxyphenyl)-phenylmethanone

(3-dodecyl-2-hydroxyphenyl)-phenylmethanone (PubChem CID 91614049) has the molecular formula C25H34O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is (3-dodecyl-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
PubChem CID91614049
Molecular FormulaC25H34O2
Molecular Weight366.55 g/mol
Exact Mass366.26
IUPAC Name(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCCCCCCCc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-9-10-12-16-22-19-15-20-23(25(22)27)24(26)21-17-13-11-14-18-21/h11,13-15,17-20,27H,2-10,12,16H2,1H3
InChIKeyXSPKZYWGEKTJRS-UHFFFAOYSA-N
XLogP7.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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3-butyl-2-hydroxybenzoic acid
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(2-hydroxy-3-octoxyphenyl)-phenylmethanone
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(3-decoxy-2-hydroxyphenyl)-phenylmethanone
CID 19898473
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Frequently Asked Questions

What is the IUPAC name of (3-dodecyl-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (3-dodecyl-2-hydroxyphenyl)-phenylmethanone (CID 91614049) is (3-dodecyl-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-dodecyl-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (3-dodecyl-2-hydroxyphenyl)-phenylmethanone is CCCCCCCCCCCCc1cccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-dodecyl-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is XSPKZYWGEKTJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34O2/c1-2-3-4-5-6-7-8-9-10-12-16-22-19-15-20-23(25(22)27)24(26)21-17-13-11-14-18-21/h11,13-15,17-20,27H,2-10,12,16H2,1H3.
What are the key properties of (3-dodecyl-2-hydroxyphenyl)-phenylmethanone?
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 366.55 g/mol, XLogP of 7.09, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-dodecyl-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 91614049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).