methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate

C17H17ClO3 — CID 138970451

IUPACmethyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1cc(-c2cc(C)cc(C)c2)c(C)c(Cl)c1O
InChIInChI=1S/C17H17ClO3/c1-9-5-10(2)7-12(6-9)13-8-14(17(20)21-4)16(19)15(18)11(13)3/h5-8,19H,1-4H3
InChIKeyQVCZYHVPJNLBRZ-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.42
Rot. Bonds2

About methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate

methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate (PubChem CID 138970451) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate
PubChem CID138970451
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Namemethyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1cc(-c2cc(C)cc(C)c2)c(C)c(Cl)c1O
InChIInChI=1S/C17H17ClO3/c1-9-5-10(2)7-12(6-9)13-8-14(17(20)21-4)16(19)15(18)11(13)3/h5-8,19H,1-4H3
InChIKeyQVCZYHVPJNLBRZ-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-5-methylphenyl)methyl]-5-methylbenzoate
CID 1211689
methyl 3,5-dibromo-4-chloro-2-hydroxybenzoate
CID 26369957
methyl 3-amino-4,5-dichloro-2-hydroxybenzoate
CID 23046751
methyl 2-chloro-4-hydroxy-3-methylbenzoate
CID 11820124
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 2-amino-3-chloro-4-hydroxy-5-methylbenzoate
CID 174640737
methyl 5-chloro-2-(3-methyl-5-nitrophenyl)benzoate
CID 102257391
methyl 5-chloro-2-hydroxy-3-methylbenzoate;methyl 2-hydroxy-3-methylbenzoate
CID 160734201
methyl 2,5-dichloro-3,6-dihydroxy-4-methylbenzoate
CID 140966674
methyl 5-chlorosulfonyl-2-hydroxy-3-methylbenzoate
CID 87968213

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate?
The IUPAC name of methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate (CID 138970451) is methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate.
What is the SMILES notation for methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate?
The canonical SMILES for methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate is COC(=O)c1cc(-c2cc(C)cc(C)c2)c(C)c(Cl)c1O.
What is the InChIKey of methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate?
The InChIKey is QVCZYHVPJNLBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-9-5-10(2)7-12(6-9)13-8-14(17(20)21-4)16(19)15(18)11(13)3/h5-8,19H,1-4H3.
What are the key properties of methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate?
methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate has a molecular weight of 304.77 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-(3,5-dimethylphenyl)-2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 138970451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).