3-(3-chlorophenyl)-2-methylbut-3-en-2-ol

C11H13ClO — CID 135085879

IUPAC3-(3-chlorophenyl)-2-methylbut-3-en-2-ol
SMILESC=C(c1cccc(Cl)c1)C(C)(C)O
InChIInChI=1S/C11H13ClO/c1-8(11(2,3)13)9-5-4-6-10(12)7-9/h4-7,13H,1H2,2-3H3
InChIKeyJGRCMVOBXGIESX-UHFFFAOYSA-N
MW196.68 g/mol
LogP3.12
Rot. Bonds2

About 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol

3-(3-chlorophenyl)-2-methylbut-3-en-2-ol (PubChem CID 135085879) has the molecular formula C11H13ClO and a molecular weight of 196.68 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-methylbut-3-en-2-ol
PubChem CID135085879
Molecular FormulaC11H13ClO
Molecular Weight196.68 g/mol
Exact Mass196.07
IUPAC Name3-(3-chlorophenyl)-2-methylbut-3-en-2-ol
SMILESC=C(c1cccc(Cl)c1)C(C)(C)O
InChIInChI=1S/C11H13ClO/c1-8(11(2,3)13)9-5-4-6-10(12)7-9/h4-7,13H,1H2,2-3H3
InChIKeyJGRCMVOBXGIESX-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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tetrakis(3-chlorobenzoic acid);bis(rhodium)
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2-chloro-1-(3-chlorophenyl)prop-2-en-1-one
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3-amino-1-(3-chlorophenyl)-2,2,3-trimethylbutan-1-one
CID 116573703
1-[(E)-but-2-en-2-yl]-3-chlorobenzene
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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
The IUPAC name of 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol (CID 135085879) is 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol.
What is the SMILES notation for 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
The canonical SMILES for 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol is C=C(c1cccc(Cl)c1)C(C)(C)O.
What is the InChIKey of 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
The InChIKey is JGRCMVOBXGIESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO/c1-8(11(2,3)13)9-5-4-6-10(12)7-9/h4-7,13H,1H2,2-3H3.
What are the key properties of 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol?
3-(3-chlorophenyl)-2-methylbut-3-en-2-ol has a molecular weight of 196.68 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-methylbut-3-en-2-ol is sourced from PubChem (CID 135085879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).