1-(2-chlorooctyl)-4-methoxybenzene

C15H23ClO — CID 114753869

IUPAC1-(2-chlorooctyl)-4-methoxybenzene
SMILESCCCCCCC(Cl)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23ClO/c1-3-4-5-6-7-14(16)12-13-8-10-15(17-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3
InChIKeyACMMWXRSMOPGQW-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.82
Rot. Bonds8

About 1-(2-chlorooctyl)-4-methoxybenzene

1-(2-chlorooctyl)-4-methoxybenzene (PubChem CID 114753869) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 1-(2-chlorooctyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(2-chlorooctyl)-4-methoxybenzene
PubChem CID114753869
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name1-(2-chlorooctyl)-4-methoxybenzene
SMILESCCCCCCC(Cl)Cc1ccc(OC)cc1
InChIInChI=1S/C15H23ClO/c1-3-4-5-6-7-14(16)12-13-8-10-15(17-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3
InChIKeyACMMWXRSMOPGQW-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chlorooctyl)-4-methoxybenzene 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

1-(4-methoxyphenyl)heptan-2-amine
CID 61079044
1-(4-methoxyphenyl)nonan-2-ol
CID 62608606
1-(2-chlorodecyl)-4-fluorobenzene
CID 65428544
1-(4-methoxyphenyl)-N-methyldecan-2-amine
CID 63416962
1-[2-(bromomethyl)undecyl]-4-methoxybenzene
CID 66041899
1-(5-chloroheptyl)-4-methoxybenzene
CID 65443850
2-[(4-methoxyphenyl)methyl]heptan-1-ol
CID 66060559
3-[(4-methoxyphenyl)methyl]hexadecan-2-one
CID 70021103
1,2-dichloro-4-(2-chlorononyl)benzene
CID 55223341
1-methoxy-4-[[4-(2-propylnonyl)phenoxy]methyl]benzene
CID 142632649
1-(2-bromohexyl)-4-methoxybenzene
CID 63543278
1-(4-methoxyphenyl)hexan-2-ol
CID 62608607

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorooctyl)-4-methoxybenzene?
The IUPAC name of 1-(2-chlorooctyl)-4-methoxybenzene (CID 114753869) is 1-(2-chlorooctyl)-4-methoxybenzene.
What is the SMILES notation for 1-(2-chlorooctyl)-4-methoxybenzene?
The canonical SMILES for 1-(2-chlorooctyl)-4-methoxybenzene is CCCCCCC(Cl)Cc1ccc(OC)cc1.
What is the InChIKey of 1-(2-chlorooctyl)-4-methoxybenzene?
The InChIKey is ACMMWXRSMOPGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-3-4-5-6-7-14(16)12-13-8-10-15(17-2)11-9-13/h8-11,14H,3-7,12H2,1-2H3.
What are the key properties of 1-(2-chlorooctyl)-4-methoxybenzene?
1-(2-chlorooctyl)-4-methoxybenzene has a molecular weight of 254.80 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorooctyl)-4-methoxybenzene is sourced from PubChem (CID 114753869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).