(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone

C21H26O4 — CID 70363283

IUPAC(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCCCCCCCCOc1cccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C21H26O4/c1-2-3-4-5-6-9-15-25-19-14-10-12-17(21(19)24)20(23)16-11-7-8-13-18(16)22/h7-8,10-14,22,24H,2-6,9,15H2,1H3
InChIKeyVSODHVVZNAJKNH-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.07
Rot. Bonds10

About (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone

(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone (PubChem CID 70363283) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone
PubChem CID70363283
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone
SMILESCCCCCCCCOc1cccc(C(=O)c2ccccc2O)c1O
InChIInChI=1S/C21H26O4/c1-2-3-4-5-6-9-15-25-19-14-10-12-17(21(19)24)20(23)16-11-7-8-13-18(16)22/h7-8,10-14,22,24H,2-6,9,15H2,1H3
InChIKeyVSODHVVZNAJKNH-UHFFFAOYSA-N
XLogP5.07
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
(3-decoxy-2-hydroxyphenyl)-phenylmethanone
CID 19898473
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
3-tetradecoxybenzene-1,2-diol
CID 152769078
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594
2-tridecoxyphenol
CID 67178320
magnesium bis(2-decoxybenzoate)
CID 70413847
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
2-dodecoxybenzoic acid;nickel
CID 87443191

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone (CID 70363283) is (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone is CCCCCCCCOc1cccc(C(=O)c2ccccc2O)c1O.
What is the InChIKey of (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone?
The InChIKey is VSODHVVZNAJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O4/c1-2-3-4-5-6-9-15-25-19-14-10-12-17(21(19)24)20(23)16-11-7-8-13-18(16)22/h7-8,10-14,22,24H,2-6,9,15H2,1H3.
What are the key properties of (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone?
(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone has a molecular weight of 342.44 g/mol, XLogP of 5.07, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 70363283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).