[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol

C12H15ClO — CID 54452968

IUPAC[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol
SMILESCc1cc(CC=CCl)cc(C)c1CO
InChIInChI=1S/C12H15ClO/c1-9-6-11(4-3-5-13)7-10(2)12(9)8-14/h3,5-7,14H,4,8H2,1-2H3
InChIKeyWWFJHEZAQFRRTL-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.09
Rot. Bonds3

About [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol

[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol (PubChem CID 54452968) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol.

Molecular Properties

Compound Name[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol
PubChem CID54452968
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol
SMILESCc1cc(CC=CCl)cc(C)c1CO
InChIInChI=1S/C12H15ClO/c1-9-6-11(4-3-5-13)7-10(2)12(9)8-14/h3,5-7,14H,4,8H2,1-2H3
InChIKeyWWFJHEZAQFRRTL-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol?
The IUPAC name of [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol (CID 54452968) is [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol.
What is the SMILES notation for [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol?
The canonical SMILES for [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol is Cc1cc(CC=CCl)cc(C)c1CO.
What is the InChIKey of [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol?
The InChIKey is WWFJHEZAQFRRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-9-6-11(4-3-5-13)7-10(2)12(9)8-14/h3,5-7,14H,4,8H2,1-2H3.
What are the key properties of [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol?
[4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol has a molecular weight of 210.70 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chloroprop-2-enyl)-2,6-dimethylphenyl]methanol is sourced from PubChem (CID 54452968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).