(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone

C20H24O3 — CID 175553611

IUPAC(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone
SMILESCCCCCCc1c(O)ccc(C(=O)c2ccccc2C)c1O
InChIInChI=1S/C20H24O3/c1-3-4-5-6-11-16-18(21)13-12-17(20(16)23)19(22)15-10-8-7-9-14(15)2/h7-10,12-13,21,23H,3-6,11H2,1-2H3
InChIKeyOXUIOSADZIQPIP-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.76
Rot. Bonds7

About (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone

(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone (PubChem CID 175553611) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone
PubChem CID175553611
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone
SMILESCCCCCCc1c(O)ccc(C(=O)c2ccccc2C)c1O
InChIInChI=1S/C20H24O3/c1-3-4-5-6-11-16-18(21)13-12-17(20(16)23)19(22)15-10-8-7-9-14(15)2/h7-10,12-13,21,23H,3-6,11H2,1-2H3
InChIKeyOXUIOSADZIQPIP-UHFFFAOYSA-N
XLogP4.76
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hexyl-3-methylphenol
CID 28322
2,3-diheptyl-4-hydroxybenzoic acid
CID 69402262
2,3-dihexylbenzene-1,4-diol
CID 69329716
(4-heptyl-2,3,5-trihydroxyphenyl)-phenylmethanone
CID 174471855
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
2-pentylbenzene-1,3-diol
CID 15007741
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
3-hexyl-4-methylbenzene-1,2-diol
CID 174877498
2-methyl-3-octylbenzene-1,4-diol
CID 67742656
2-hydroxy-3,4-di(pentadecyl)benzoic acid
CID 139798783

Frequently Asked Questions

What is the IUPAC name of (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone?
The IUPAC name of (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone (CID 175553611) is (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone?
The canonical SMILES for (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone is CCCCCCc1c(O)ccc(C(=O)c2ccccc2C)c1O.
What is the InChIKey of (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone?
The InChIKey is OXUIOSADZIQPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-4-5-6-11-16-18(21)13-12-17(20(16)23)19(22)15-10-8-7-9-14(15)2/h7-10,12-13,21,23H,3-6,11H2,1-2H3.
What are the key properties of (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone?
(3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone has a molecular weight of 312.41 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hexyl-2,4-dihydroxyphenyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 175553611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).