1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene

C16H23ClO — CID 83940767

IUPAC1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
SMILESC/C=C\CCc1c(C)c(Cl)cc(C)c1OCCC
InChIInChI=1S/C16H23ClO/c1-5-7-8-9-14-13(4)15(17)11-12(3)16(14)18-10-6-2/h5,7,11H,6,8-10H2,1-4H3/b7-5-
InChIKeyYLBCPEPZNLEPHQ-ALCCZGGFSA-N
MW266.81 g/mol
LogP5.25
Rot. Bonds6

About 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene

1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene (PubChem CID 83940767) has the molecular formula C16H23ClO and a molecular weight of 266.81 g/mol. Its IUPAC name is 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene.

Molecular Properties

Compound Name1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
PubChem CID83940767
Molecular FormulaC16H23ClO
Molecular Weight266.81 g/mol
Exact Mass266.14
IUPAC Name1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene
SMILESC/C=C\CCc1c(C)c(Cl)cc(C)c1OCCC
InChIInChI=1S/C16H23ClO/c1-5-7-8-9-14-13(4)15(17)11-12(3)16(14)18-10-6-2/h5,7,11H,6,8-10H2,1-4H3/b7-5-
InChIKeyYLBCPEPZNLEPHQ-ALCCZGGFSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.81
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloro-2,5-dimethyl-6-propoxyphenyl)pentan-2-one
CID 83940685
1-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-N-methylmethanamine
CID 82552354
1-[3-(3-chloro-2,5-dimethyl-6-propoxyphenyl)propyl]piperazine
CID 83940725
4-(3-chloro-2,5-dimethyl-6-propoxyphenyl)-3-methylbutanethioamide
CID 83940733
3-chloro-2,5-dimethyl-6-propoxybenzoic acid
CID 82266755
6-(5-chloro-2-ethoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
CID 83940616
3-(5-chloro-2-methoxy-3,6-dimethylphenyl)propane-1-thiol
CID 83940433
2-(5-chloro-2-methoxy-3,6-dimethylphenyl)-N-methylethanamine
CID 82552404
1-amino-4-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-2-ol
CID 83940650
1-chloro-4-ethoxy-2,5-dimethyl-3-[(Z)-2-methylhex-3-enyl]benzene
CID 83940649
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
2-[2-(3-chloro-2,5-dimethyl-6-propoxyphenyl)butyl]-3-methyloxirane
CID 83940779

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene?
The IUPAC name of 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene (CID 83940767) is 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene.
What is the SMILES notation for 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene?
The canonical SMILES for 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene is C/C=C\CCc1c(C)c(Cl)cc(C)c1OCCC.
What is the InChIKey of 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene?
The InChIKey is YLBCPEPZNLEPHQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C16H23ClO/c1-5-7-8-9-14-13(4)15(17)11-12(3)16(14)18-10-6-2/h5,7,11H,6,8-10H2,1-4H3/b7-5-.
What are the key properties of 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene?
1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene has a molecular weight of 266.81 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5-dimethyl-3-[(Z)-pent-3-enyl]-4-propoxybenzene is sourced from PubChem (CID 83940767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).