methyl 4-hydroxybenzoate;3-methylphenol

C15H16O4 — CID 174792609

IUPACmethyl 4-hydroxybenzoate;3-methylphenol
SMILESCOC(=O)c1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C8H8O3.C7H8O/c1-11-8(10)6-2-4-7(9)5-3-6;1-6-3-2-4-7(8)5-6/h2-5,9H,1H3;2-5,8H,1H3
InChIKeyZVIAAOIOEVCJDI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.88
Rot. Bonds1

About methyl 4-hydroxybenzoate;3-methylphenol

methyl 4-hydroxybenzoate;3-methylphenol (PubChem CID 174792609) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-hydroxybenzoate;3-methylphenol.

Molecular Properties

Compound Namemethyl 4-hydroxybenzoate;3-methylphenol
PubChem CID174792609
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namemethyl 4-hydroxybenzoate;3-methylphenol
SMILESCOC(=O)c1ccc(O)cc1.Cc1cccc(O)c1
InChIInChI=1S/C8H8O3.C7H8O/c1-11-8(10)6-2-4-7(9)5-3-6;1-6-3-2-4-7(8)5-6/h2-5,9H,1H3;2-5,8H,1H3
InChIKeyZVIAAOIOEVCJDI-UHFFFAOYSA-N
XLogP2.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 159177716
CID 159177716
3-(2-hydroxyethyl)phenol;methyl 4-hydroxybenzoate
CID 70293385
3-methylphenol
CID 67925627
(Z)-but-2-enedioic acid;methyl 4-hydroxybenzoate
CID 174448050
4-hydroxybenzoic acid;methyl 4-hydroxybenzoate
CID 67377011
methyl 4-hydroxybenzoate;oxalyl dichloride
CID 174433291
4-methylbenzoic acid;3-methylphenol
CID 159152247
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
sodium 3-methylphenol
CID 21278687
methyl 4-[(3-hydroxybenzoyl)amino]benzoate
CID 43404225
methyl 4-[4-(4-hydroxyphenoxy)phenoxy]benzoate
CID 10314933

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxybenzoate;3-methylphenol?
The IUPAC name of methyl 4-hydroxybenzoate;3-methylphenol (CID 174792609) is methyl 4-hydroxybenzoate;3-methylphenol.
What is the SMILES notation for methyl 4-hydroxybenzoate;3-methylphenol?
The canonical SMILES for methyl 4-hydroxybenzoate;3-methylphenol is COC(=O)c1ccc(O)cc1.Cc1cccc(O)c1.
What is the InChIKey of methyl 4-hydroxybenzoate;3-methylphenol?
The InChIKey is ZVIAAOIOEVCJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C7H8O/c1-11-8(10)6-2-4-7(9)5-3-6;1-6-3-2-4-7(8)5-6/h2-5,9H,1H3;2-5,8H,1H3.
What are the key properties of methyl 4-hydroxybenzoate;3-methylphenol?
methyl 4-hydroxybenzoate;3-methylphenol has a molecular weight of 260.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxybenzoate;3-methylphenol is sourced from PubChem (CID 174792609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).