4-butyl-5-methoxy-2-methylbenzene-1,3-diol

C12H18O3 — CID 143238612

IUPAC4-butyl-5-methoxy-2-methylbenzene-1,3-diol
SMILESCCCCc1c(OC)cc(O)c(C)c1O
InChIInChI=1S/C12H18O3/c1-4-5-6-9-11(15-3)7-10(13)8(2)12(9)14/h7,13-14H,4-6H2,1-3H3
InChIKeyQZHPLJKFCZTTHR-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.76
Rot. Bonds4

About 4-butyl-5-methoxy-2-methylbenzene-1,3-diol

4-butyl-5-methoxy-2-methylbenzene-1,3-diol (PubChem CID 143238612) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-butyl-5-methoxy-2-methylbenzene-1,3-diol.

Molecular Properties

Compound Name4-butyl-5-methoxy-2-methylbenzene-1,3-diol
PubChem CID143238612
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-butyl-5-methoxy-2-methylbenzene-1,3-diol
SMILESCCCCc1c(OC)cc(O)c(C)c1O
InChIInChI=1S/C12H18O3/c1-4-5-6-9-11(15-3)7-10(13)8(2)12(9)14/h7,13-14H,4-6H2,1-3H3
InChIKeyQZHPLJKFCZTTHR-UHFFFAOYSA-N
XLogP2.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)hexadecan-1-one
CID 171120738
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
2,6-dimethoxy-4-pentylphenol
CID 22625510
2-butyl-1,3-dimethoxy-5-(methoxymethyl)benzene
CID 24770685
1-(2,4-dihydroxy-6-methoxy-3-methylphenyl)-2-hydroxyethanone
CID 91352605
2,3-diethyl-4-methoxy-6-methylphenol
CID 162375144
3-butyl-6-hydroxy-7-methoxy-4-methylchromen-2-one
CID 19927645
butyl 4-hydroxy-6-methoxy-2,3-dimethylbenzoate
CID 176829282
2-butyl-1,3-dimethoxybenzene
CID 524840
4-butyl-3-methoxy-5-methylbenzoic acid
CID 155978922
3,5-dibutyl-2-methylphenol
CID 10285910

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-methoxy-2-methylbenzene-1,3-diol?
The IUPAC name of 4-butyl-5-methoxy-2-methylbenzene-1,3-diol (CID 143238612) is 4-butyl-5-methoxy-2-methylbenzene-1,3-diol.
What is the SMILES notation for 4-butyl-5-methoxy-2-methylbenzene-1,3-diol?
The canonical SMILES for 4-butyl-5-methoxy-2-methylbenzene-1,3-diol is CCCCc1c(OC)cc(O)c(C)c1O.
What is the InChIKey of 4-butyl-5-methoxy-2-methylbenzene-1,3-diol?
The InChIKey is QZHPLJKFCZTTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-5-6-9-11(15-3)7-10(13)8(2)12(9)14/h7,13-14H,4-6H2,1-3H3.
What are the key properties of 4-butyl-5-methoxy-2-methylbenzene-1,3-diol?
4-butyl-5-methoxy-2-methylbenzene-1,3-diol has a molecular weight of 210.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-methoxy-2-methylbenzene-1,3-diol is sourced from PubChem (CID 143238612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).