1-(2-chloro-3-methylphenyl)pent-4-en-1-ol

C12H15ClO — CID 115804889

IUPAC1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(C)c1Cl
InChIInChI=1S/C12H15ClO/c1-3-4-8-11(14)10-7-5-6-9(2)12(10)13/h3,5-7,11,14H,1,4,8H2,2H3
InChIKeyJUWJCIVRKHXFTB-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.65
Rot. Bonds4

About 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol

1-(2-chloro-3-methylphenyl)pent-4-en-1-ol (PubChem CID 115804889) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
PubChem CID115804889
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-(2-chloro-3-methylphenyl)pent-4-en-1-ol
SMILESC=CCCC(O)c1cccc(C)c1Cl
InChIInChI=1S/C12H15ClO/c1-3-4-8-11(14)10-7-5-6-9(2)12(10)13/h3,5-7,11,14H,1,4,8H2,2H3
InChIKeyJUWJCIVRKHXFTB-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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)-N-ethylpent-4-en-1-amine
CID 104987508
1-(2-chloro-3-methylphenyl)-N-propylhex-5-en-1-amine
CID 104987124
1-(2-chloro-3-methylphenyl)-2-propan-2-yloxyethanol
CID 115821571
1-[3-(1-hydroxypent-4-enyl)phenyl]pent-4-en-1-ol
CID 59703119
1-(2-chloro-3-methylphenyl)-3-methylbut-2-en-1-ol
CID 115817197
(1R)-1-(2-methylphenyl)pent-4-en-1-amine;hydrochloride
CID 171209860
2-(1-hydroxybut-3-enyl)-6-methylphenol
CID 101451265
2-(4-chloro-2-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115839825
(1R,2R)-2-amino-1-(2-chloro-3-methylphenyl)propan-1-ol
CID 130826820
2-(2-methylphenyl)hex-5-enal
CID 154302284
2-(4-bromo-2-chlorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115833929
1-(2-chloro-3-methylphenyl)hex-5-en-1-one
CID 114974829

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol?
The IUPAC name of 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol (CID 115804889) is 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol.
What is the SMILES notation for 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol?
The canonical SMILES for 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol is C=CCCC(O)c1cccc(C)c1Cl.
What is the InChIKey of 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol?
The InChIKey is JUWJCIVRKHXFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-3-4-8-11(14)10-7-5-6-9(2)12(10)13/h3,5-7,11,14H,1,4,8H2,2H3.
What are the key properties of 1-(2-chloro-3-methylphenyl)pent-4-en-1-ol?
1-(2-chloro-3-methylphenyl)pent-4-en-1-ol has a molecular weight of 210.70 g/mol, XLogP of 3.65, 4 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)pent-4-en-1-ol is sourced from PubChem (CID 115804889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).