1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol

C12H17ClO2 — CID 84692296

IUPAC1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(C)C)cc1C(C)O
InChIInChI=1S/C12H17ClO2/c1-7(2)9-5-10(8(3)14)12(15-4)11(13)6-9/h5-8,14H,1-4H3
InChIKeyJELWBJDQGOLOBK-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.53
Rot. Bonds3

About 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol

1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol (PubChem CID 84692296) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
PubChem CID84692296
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(C)C)cc1C(C)O
InChIInChI=1S/C12H17ClO2/c1-7(2)9-5-10(8(3)14)12(15-4)11(13)6-9/h5-8,14H,1-4H3
InChIKeyJELWBJDQGOLOBK-UHFFFAOYSA-N
XLogP3.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
4-amino-4-(3-chloro-2-methoxy-5-propan-2-ylphenyl)butanoic acid
CID 117460388
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
CID 84694066
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanone
CID 83892755
1-(3-chloro-4-methoxy-5-methylsulfanylphenyl)ethanol
CID 117337308
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)cyclopropan-1-ol
CID 117354237
3-amino-3-(3-chloro-4-methoxy-5-propan-2-ylphenyl)propanoic acid
CID 117432170
1-(3-chloro-2,4,5-trimethoxyphenyl)ethanol
CID 84705859
3-chloro-2-methoxy-5-propan-2-ylbenzohydrazide
CID 50882310
1-[5-[3,5-bis(1-hydroxyethyl)-4-methoxyphenoxy]-3-(1-hydroxyethyl)-2-methoxyphenyl]ethanol
CID 122629520

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol (CID 84692296) is 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol is COc1c(Cl)cc(C(C)C)cc1C(C)O.
What is the InChIKey of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol?
The InChIKey is JELWBJDQGOLOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-7(2)9-5-10(8(3)14)12(15-4)11(13)6-9/h5-8,14H,1-4H3.
What are the key properties of 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol?
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol has a molecular weight of 228.72 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 84692296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).