(2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone

C15H16O3 — CID 143430705

IUPAC(2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)c2ccc(C)cc2O)C=C1
InChIInChI=1S/C15H16O3/c1-10-3-8-13(14(16)9-10)15(17)11-4-6-12(18-2)7-5-11/h3-4,6-9,11,16H,5H2,1-2H3
InChIKeyOQCOHLZUPVKEOV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.99
Rot. Bonds3

About (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone

(2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone (PubChem CID 143430705) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
PubChem CID143430705
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name(2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
SMILESCOC1=CCC(C(=O)c2ccc(C)cc2O)C=C1
InChIInChI=1S/C15H16O3/c1-10-3-8-13(14(16)9-10)15(17)11-4-6-12(18-2)7-5-11/h3-4,6-9,11,16H,5H2,1-2H3
InChIKeyOQCOHLZUPVKEOV-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dihydroxy-3-(4-methoxycyclohexa-2,4-dien-1-yl)phenyl]ethanone
CID 100941746
(2,4-dimethylphenyl)-(2-hydroxy-4-methylphenyl)methanone
CID 22951592
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
amino 2-hydroxy-4-methylbenzoate
CID 174368722
2-[(E)-1-methoxyprop-1-enyl]-5-methylphenol
CID 130240719
[4-[(1E,3E)-4-methoxyhexa-1,3,5-trienoxy]cyclohexa-2,4-dien-1-yl]-(4-methylphenyl)methanone
CID 163854210
(2,5-dimethylphenyl)-(4-imidazol-1-ylcyclohexa-2,4-dien-1-yl)methanone
CID 163610019
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
(3,4-dimethylpyrrolidin-1-yl)-(2-hydroxy-4-methylphenyl)methanone
CID 79039969
methyl 5-(2-hydroxy-4-methylphenyl)-3,5-dioxopentanoate
CID 19913878
N-cyclobutyl-2-hydroxy-4-methylbenzamide
CID 62416758
methyl 4-hydroxycyclohexa-2,4-diene-1-carboxylate
CID 149128218

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The IUPAC name of (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone (CID 143430705) is (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The canonical SMILES for (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone is COC1=CCC(C(=O)c2ccc(C)cc2O)C=C1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
The InChIKey is OQCOHLZUPVKEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-10-3-8-13(14(16)9-10)15(17)11-4-6-12(18-2)7-5-11/h3-4,6-9,11,16H,5H2,1-2H3.
What are the key properties of (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone?
(2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone has a molecular weight of 244.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)-(4-methoxycyclohexa-2,4-dien-1-yl)methanone is sourced from PubChem (CID 143430705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).