1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol

C11H15ClO2 — CID 117306080

IUPAC1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
SMILESCOc1cc(C)c(Cl)cc1CC(C)O
InChIInChI=1S/C11H15ClO2/c1-7-4-11(14-3)9(5-8(2)13)6-10(7)12/h4,6,8,13H,5H2,1-3H3
InChIKeyWOKRXSYGQUSOSF-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.58
Rot. Bonds3

About 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol

1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol (PubChem CID 117306080) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
PubChem CID117306080
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol
SMILESCOc1cc(C)c(Cl)cc1CC(C)O
InChIInChI=1S/C11H15ClO2/c1-7-4-11(14-3)9(5-8(2)13)6-10(7)12/h4,6,8,13H,5H2,1-3H3
InChIKeyWOKRXSYGQUSOSF-UHFFFAOYSA-N
XLogP2.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-3-methylbutan-1-amine
CID 116931082
5-(5-chloro-2-methoxy-4-methylphenyl)pentane-2,3-diol
CID 83937566
4-(5-chloro-2-methoxy-4-methylphenyl)-3-methylbutan-1-amine
CID 83937517
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
2-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N,3-dimethylbutan-1-amine
CID 116931184
4-(5-chloro-2-methoxy-4-methylphenyl)butan-2-amine
CID 82473812
1-(5-chloro-2-methoxy-4-methylphenyl)heptane-3,4-diol
CID 83937570
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
5-(2-hydroxypropyl)-2,4-dimethoxyphenol
CID 117303005
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]propan-2-ol
CID 117328887
1-(5-bromo-2-chloro-4-methoxyphenyl)propan-2-ol
CID 117448579
5-(5-chloro-2-methoxy-4-methylphenyl)pentan-1-ol
CID 98015509

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol?
The IUPAC name of 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol (CID 117306080) is 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol is COc1cc(C)c(Cl)cc1CC(C)O.
What is the InChIKey of 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol?
The InChIKey is WOKRXSYGQUSOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-7-4-11(14-3)9(5-8(2)13)6-10(7)12/h4,6,8,13H,5H2,1-3H3.
What are the key properties of 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol?
1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol has a molecular weight of 214.69 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxy-4-methylphenyl)propan-2-ol is sourced from PubChem (CID 117306080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).