1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol

C12H15ClO — CID 115817197

IUPAC1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1cccc(C)c1Cl
InChIInChI=1S/C12H15ClO/c1-8(2)7-11(14)10-6-4-5-9(3)12(10)13/h4-7,11,14H,1-3H3
InChIKeyFFQWVGULAGOYJK-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.65
Rot. Bonds2

About 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol

1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol (PubChem CID 115817197) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
PubChem CID115817197
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
SMILESCC(C)=CC(O)c1cccc(C)c1Cl
InChIInChI=1S/C12H15ClO/c1-8(2)7-11(14)10-6-4-5-9(3)12(10)13/h4-7,11,14H,1-3H3
InChIKeyFFQWVGULAGOYJK-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(2-chloro-3-methylphenyl)-3-methylbut-2-enyl]hydrazine
CID 105319889
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
CID 115804889
(4-bromothiophen-3-yl)-(2-chloro-3-methylphenyl)methanol
CID 115820165
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
CID 115821571
1-(2-bromo-3-methylphenyl)-N,3-dimethylbut-2-en-1-amine
CID 107985160
4-(2-chloro-3-methylphenyl)-3,4-dihydroxybutanoic acid
CID 171877208
1-(3-chloro-2-methylphenyl)-3-methylbut-2-en-1-amine
CID 107102693
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
(2-chloro-3-methylphenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106682622
(2-chloro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanol
CID 83068641
(2-chloro-3-methylphenyl)-pyridin-3-ylmethanol
CID 114980240

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol?
The IUPAC name of 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol (CID 115817197) is 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol is CC(C)=CC(O)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol?
The InChIKey is FFQWVGULAGOYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-8(2)7-11(14)10-6-4-5-9(3)12(10)13/h4-7,11,14H,1-3H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol?
1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol has a molecular weight of 210.70 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol is sourced from PubChem (CID 115817197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).