(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol

C10H11ClO — CID 12922166

IUPAC(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
SMILESC/C(=C\c1ccc(Cl)cc1)CO
InChIInChI=1S/C10H11ClO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6+
InChIKeyMGRIOFUMFJJBRY-SOFGYWHQSA-N
MW182.65 g/mol
LogP2.74
Rot. Bonds2

About (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol

(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol (PubChem CID 12922166) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
PubChem CID12922166
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol
SMILESC/C(=C\c1ccc(Cl)cc1)CO
InChIInChI=1S/C10H11ClO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6+
InChIKeyMGRIOFUMFJJBRY-SOFGYWHQSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4-dichlorophenyl)-2-methylprop-2-en-1-ol
CID 79335243
3-(4-chloro-3-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79335022
2-[(4-chlorophenyl)methylidene]-3-methylbutan-1-ol
CID 68707841
(E)-3-[4-[2-[5-(4-chlorophenyl)-2-pyridinyl]ethynyl]phenyl]-2-methylprop-2-en-1-ol
CID 69362652
3-(3-bromo-4-fluorophenyl)-2-methylprop-2-en-1-ol
CID 79334676
4-(3-hydroxy-2-methylprop-1-enyl)benzamide
CID 79334325
3-(3-chloro-4-methoxyphenyl)-2-methylprop-2-en-1-ol
CID 79334564
2-fluoro-4-[(Z)-3-hydroxy-2-methylprop-1-enyl]phenol
CID 107693855
(E)-2-methyl-3-[4-(2-methylbutan-2-yl)phenyl]prop-2-en-1-ol
CID 70593389
2-fluoro-5-[(Z)-3-hydroxy-2-methylprop-1-enyl]benzonitrile
CID 107937049
methyl 4-(3-hydroxy-2-methylprop-1-enyl)benzoate
CID 79335128
(Z)-3-(chloromethyl)-4-(4-chlorophenyl)but-3-en-2-one
CID 11458843

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol?
The IUPAC name of (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol (CID 12922166) is (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol.
What is the SMILES notation for (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol?
The canonical SMILES for (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol is C/C(=C\c1ccc(Cl)cc1)CO.
What is the InChIKey of (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol?
The InChIKey is MGRIOFUMFJJBRY-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H11ClO/c1-8(7-12)6-9-2-4-10(11)5-3-9/h2-6,12H,7H2,1H3/b8-6+.
What are the key properties of (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol?
(E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol has a molecular weight of 182.65 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)-2-methylprop-2-en-1-ol is sourced from PubChem (CID 12922166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).