6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol

C15H14Cl2O2 — CID 159859683

IUPAC6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
SMILESCc1ccc(Cl)c(O)c1Cc1c(C)ccc(Cl)c1O
InChIInChI=1S/C15H14Cl2O2/c1-8-3-5-12(16)14(18)10(8)7-11-9(2)4-6-13(17)15(11)19/h3-6,18-19H,7H2,1-2H3
InChIKeyNQZDHEIUQFHVIK-UHFFFAOYSA-N
MW297.18 g/mol
LogP4.61
Rot. Bonds2

About 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol

6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol (PubChem CID 159859683) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol.

Molecular Properties

Compound Name6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
PubChem CID159859683
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
SMILESCc1ccc(Cl)c(O)c1Cc1c(C)ccc(Cl)c1O
InChIInChI=1S/C15H14Cl2O2/c1-8-3-5-12(16)14(18)10(8)7-11-9(2)4-6-13(17)15(11)19/h3-6,18-19H,7H2,1-2H3
InChIKeyNQZDHEIUQFHVIK-UHFFFAOYSA-N
XLogP4.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-ethyl-3-methylphenol
CID 123495023
6-chloro-2-[(methoxyamino)methyl]-3-methylphenol
CID 117290479
2-(aminomethyl)-3-chloro-6-methylphenol
CID 84766114
1-(6-chloro-2-hydroxy-3-methylphenyl)propan-2-one
CID 84775039
(2-bromo-3-chloro-6-methylphenyl)methanol
CID 131628561
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
CID 118811534
2-chloro-6-methylphenol;yttrium
CID 178141464
4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
3-(3-chloro-2-hydroxy-6-methylphenyl)butanal
CID 117303425
1-(6-chloro-2,3-dimethylphenyl)-N-methylmethanamine
CID 84659371
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
The IUPAC name of 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol (CID 159859683) is 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol.
What is the SMILES notation for 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
The canonical SMILES for 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol is Cc1ccc(Cl)c(O)c1Cc1c(C)ccc(Cl)c1O.
What is the InChIKey of 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
The InChIKey is NQZDHEIUQFHVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-8-3-5-12(16)14(18)10(8)7-11-9(2)4-6-13(17)15(11)19/h3-6,18-19H,7H2,1-2H3.
What are the key properties of 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol?
6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol has a molecular weight of 297.18 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol is sourced from PubChem (CID 159859683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).