4-(4-chloro-2-methoxy-5-methylphenyl)phenol

C14H13ClO2 — CID 82039616

IUPAC4-(4-chloro-2-methoxy-5-methylphenyl)phenol
SMILESCOc1cc(Cl)c(C)cc1-c1ccc(O)cc1
InChIInChI=1S/C14H13ClO2/c1-9-7-12(14(17-2)8-13(9)15)10-3-5-11(16)6-4-10/h3-8,16H,1-2H3
InChIKeyDEYRUCGYPNWVIP-UHFFFAOYSA-N
MW248.71 g/mol
LogP4.03
Rot. Bonds2

About 4-(4-chloro-2-methoxy-5-methylphenyl)phenol

4-(4-chloro-2-methoxy-5-methylphenyl)phenol (PubChem CID 82039616) has the molecular formula C14H13ClO2 and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-(4-chloro-2-methoxy-5-methylphenyl)phenol.

Molecular Properties

Compound Name4-(4-chloro-2-methoxy-5-methylphenyl)phenol
PubChem CID82039616
Molecular FormulaC14H13ClO2
Molecular Weight248.71 g/mol
Exact Mass248.06
IUPAC Name4-(4-chloro-2-methoxy-5-methylphenyl)phenol
SMILESCOc1cc(Cl)c(C)cc1-c1ccc(O)cc1
InChIInChI=1S/C14H13ClO2/c1-9-7-12(14(17-2)8-13(9)15)10-3-5-11(16)6-4-10/h3-8,16H,1-2H3
InChIKeyDEYRUCGYPNWVIP-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

4-(4-chloro-2-methoxy-5-methylphenyl)aniline
CID 82039615
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-2-one
CID 82540716
1-[4-(4-chloro-2-methoxy-5-methylphenyl)phenyl]propan-1-amine
CID 82541451
5-chloro-2-(2-methoxyphenyl)-4-methylphenol
CID 39232302
1-chloro-5-methoxy-2,4-dimethylbenzene
CID 18683267
1-(4-bromophenyl)-2-methoxy-4,5-dimethylbenzene
CID 83666215
1-[5-(4-chloro-2-methoxy-5-methylphenyl)-3-pyridinyl]ethanone
CID 82540718
4-[4-(4-chloro-2-methoxyphenyl)thiophen-3-yl]phenol
CID 67255854
1-chloro-5-methoxy-2,4-dimethylbenzene;ethane
CID 144758840
4-[5-methoxy-4-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-2-methylphenyl]phenol
CID 23539056
1-methoxy-4-methyl-2,5-diphenylbenzene
CID 20717375
4-[4-(hydroxymethyl)-2,6-dimethoxyphenyl]phenol
CID 22669970

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)phenol?
The IUPAC name of 4-(4-chloro-2-methoxy-5-methylphenyl)phenol (CID 82039616) is 4-(4-chloro-2-methoxy-5-methylphenyl)phenol.
What is the SMILES notation for 4-(4-chloro-2-methoxy-5-methylphenyl)phenol?
The canonical SMILES for 4-(4-chloro-2-methoxy-5-methylphenyl)phenol is COc1cc(Cl)c(C)cc1-c1ccc(O)cc1.
What is the InChIKey of 4-(4-chloro-2-methoxy-5-methylphenyl)phenol?
The InChIKey is DEYRUCGYPNWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2/c1-9-7-12(14(17-2)8-13(9)15)10-3-5-11(16)6-4-10/h3-8,16H,1-2H3.
What are the key properties of 4-(4-chloro-2-methoxy-5-methylphenyl)phenol?
4-(4-chloro-2-methoxy-5-methylphenyl)phenol 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 4-(4-chloro-2-methoxy-5-methylphenyl)phenol is sourced from PubChem (CID 82039616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).