2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol

C15H15ClO4 — CID 143347390

IUPAC2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
SMILESCOc1c(C)ccc(O)c1-c1c(O)ccc(Cl)c1OC
InChIInChI=1S/C15H15ClO4/c1-8-4-6-10(17)12(14(8)19-2)13-11(18)7-5-9(16)15(13)20-3/h4-7,17-18H,1-3H3
InChIKeyBNKCFXCMWSEBIU-UHFFFAOYSA-N
MW294.73 g/mol
LogP3.74
Rot. Bonds3

About 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol

2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol (PubChem CID 143347390) has the molecular formula C15H15ClO4 and a molecular weight of 294.73 g/mol. Its IUPAC name is 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
PubChem CID143347390
Molecular FormulaC15H15ClO4
Molecular Weight294.73 g/mol
Exact Mass294.07
IUPAC Name2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
SMILESCOc1c(C)ccc(O)c1-c1c(O)ccc(Cl)c1OC
InChIInChI=1S/C15H15ClO4/c1-8-4-6-10(17)12(14(8)19-2)13-11(18)7-5-9(16)15(13)20-3/h4-7,17-18H,1-3H3
InChIKeyBNKCFXCMWSEBIU-UHFFFAOYSA-N
XLogP3.74
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-3-methoxybenzene-1,2-diol
CID 21449636
4-chloro-2-methoxy-3-methylphenol
CID 124706065
1,2-dichloro-3-methoxy-4-methylbenzene;2,3-dichloro-6-methylphenol
CID 159078208
3-chloro-2-methoxy-6-methylbenzenethiol
CID 91874666
2,3-dimethoxy-4-methylphenol;propane
CID 143012581
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
6,7-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione
CID 86142829
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
CID 117289652
6-chloro-3-hydroxy-2-methoxybenzoic acid
CID 117291132
3-(6-chloro-2-methoxy-3-methylphenyl)-1H-pyrazole-5-carboxylic acid
CID 117420526
1-(4-chloro-2,3-dimethoxyphenyl)ethanone
CID 84680566

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol?
The IUPAC name of 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol (CID 143347390) is 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol.
What is the SMILES notation for 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol?
The canonical SMILES for 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol is COc1c(C)ccc(O)c1-c1c(O)ccc(Cl)c1OC.
What is the InChIKey of 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol?
The InChIKey is BNKCFXCMWSEBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO4/c1-8-4-6-10(17)12(14(8)19-2)13-11(18)7-5-9(16)15(13)20-3/h4-7,17-18H,1-3H3.
What are the key properties of 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol?
2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol has a molecular weight of 294.73 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol is sourced from PubChem (CID 143347390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).