(3-decoxy-2-hydroxyphenyl)-phenylmethanone

C23H30O3 — CID 19898473

IUPAC(3-decoxy-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCCCCCOc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-12-18-26-21-17-13-16-20(23(21)25)22(24)19-14-10-9-11-15-19/h9-11,13-17,25H,2-8,12,18H2,1H3
InChIKeyUQCKEWDDQAWSAS-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.14
Rot. Bonds12

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

(3-decoxy-2-hydroxyphenyl)-phenylmethanone (PubChem CID 19898473) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is (3-decoxy-2-hydroxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-decoxy-2-hydroxyphenyl)-phenylmethanone
PubChem CID19898473
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name(3-decoxy-2-hydroxyphenyl)-phenylmethanone
SMILESCCCCCCCCCCOc1cccc(C(=O)c2ccccc2)c1O
InChIInChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-12-18-26-21-17-13-16-20(23(21)25)22(24)19-14-10-9-11-15-19/h9-11,13-17,25H,2-8,12,18H2,1H3
InChIKeyUQCKEWDDQAWSAS-UHFFFAOYSA-N
XLogP6.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-3-octoxyphenyl)-phenylmethanone
CID 18769406
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594
(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone
CID 70363283
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(3-dodecyl-2-hydroxyphenyl)-phenylmethanone
CID 91614049
3-tetradecoxybenzene-1,2-diol
CID 152769078
(5-bromo-4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 154087814
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzoic acid;zinc
CID 70396181

Frequently Asked Questions

What is the IUPAC name of (3-decoxy-2-hydroxyphenyl)-phenylmethanone?
The IUPAC name of (3-decoxy-2-hydroxyphenyl)-phenylmethanone (CID 19898473) is (3-decoxy-2-hydroxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-decoxy-2-hydroxyphenyl)-phenylmethanone?
The canonical SMILES for (3-decoxy-2-hydroxyphenyl)-phenylmethanone is CCCCCCCCCCOc1cccc(C(=O)c2ccccc2)c1O.
What is the InChIKey of (3-decoxy-2-hydroxyphenyl)-phenylmethanone?
The InChIKey is UQCKEWDDQAWSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-12-18-26-21-17-13-16-20(23(21)25)22(24)19-14-10-9-11-15-19/h9-11,13-17,25H,2-8,12,18H2,1H3.
What are the key properties of (3-decoxy-2-hydroxyphenyl)-phenylmethanone?
(3-decoxy-2-hydroxyphenyl)-phenylmethanone has a molecular weight of 354.49 g/mol, XLogP of 6.14, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-decoxy-2-hydroxyphenyl)-phenylmethanone is sourced from PubChem (CID 19898473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).