5-chloro-2-(2-methoxyphenyl)-4-methylphenol

C14H13ClO2 — CID 39232302

IUPAC5-chloro-2-(2-methoxyphenyl)-4-methylphenol
SMILESCOc1ccccc1-c1cc(C)c(Cl)cc1O
InChIInChI=1S/C14H13ClO2/c1-9-7-11(13(16)8-12(9)15)10-5-3-4-6-14(10)17-2/h3-8,16H,1-2H3
InChIKeyBSKINUZAWASKTJ-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.03
Rot. Bonds2

About 5-chloro-2-(2-methoxyphenyl)-4-methylphenol

5-chloro-2-(2-methoxyphenyl)-4-methylphenol (PubChem CID 39232302) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 5-chloro-2-(2-methoxyphenyl)-4-methylphenol.

Molecular Properties

Compound Name5-chloro-2-(2-methoxyphenyl)-4-methylphenol
PubChem CID39232302
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name5-chloro-2-(2-methoxyphenyl)-4-methylphenol
SMILESCOc1ccccc1-c1cc(C)c(Cl)cc1O
InChIInChI=1S/C14H13ClO2/c1-9-7-11(13(16)8-12(9)15)10-5-3-4-6-14(10)17-2/h3-8,16H,1-2H3
InChIKeyBSKINUZAWASKTJ-UHFFFAOYSA-N
XLogP4.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-4-(2-methoxyphenyl)phenol
CID 107663290
2-(2-methoxyphenyl)-4-methylphenol
CID 79020215
4-(4-chloro-2-methoxy-5-methylphenyl)phenol
CID 82039616
3-chloro-5-(2-methoxyphenyl)phenol
CID 53221223
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
3-fluoro-4-(2-methoxyphenyl)phenol
CID 53219300
5-chloro-2-(2-methoxyphenyl)benzoic acid
CID 39232682
3-methoxy-2-(2-methylphenyl)phenol
CID 122691974
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
4-chloro-2-(2-methoxyphenyl)benzoic acid
CID 53225407
2-[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136622086
2-(4-methoxy-3-methylphenyl)phenol
CID 53218559

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methoxyphenyl)-4-methylphenol?
The IUPAC name of 5-chloro-2-(2-methoxyphenyl)-4-methylphenol (CID 39232302) is 5-chloro-2-(2-methoxyphenyl)-4-methylphenol.
What is the SMILES notation for 5-chloro-2-(2-methoxyphenyl)-4-methylphenol?
The canonical SMILES for 5-chloro-2-(2-methoxyphenyl)-4-methylphenol is COc1ccccc1-c1cc(C)c(Cl)cc1O.
What is the InChIKey of 5-chloro-2-(2-methoxyphenyl)-4-methylphenol?
The InChIKey is BSKINUZAWASKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-9-7-11(13(16)8-12(9)15)10-5-3-4-6-14(10)17-2/h3-8,16H,1-2H3.
What are the key properties of 5-chloro-2-(2-methoxyphenyl)-4-methylphenol?
5-chloro-2-(2-methoxyphenyl)-4-methylphenol has a molecular weight of 248.71 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methoxyphenyl)-4-methylphenol is sourced from PubChem (CID 39232302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).