1-(5-chloroheptyl)-4-methoxybenzene

C14H21ClO — CID 65443850

IUPAC1-(5-chloroheptyl)-4-methoxybenzene
SMILESCCC(Cl)CCCCc1ccc(OC)cc1
InChIInChI=1S/C14H21ClO/c1-3-13(15)7-5-4-6-12-8-10-14(16-2)11-9-12/h8-11,13H,3-7H2,1-2H3
InChIKeyYRPWTSAJZJZOPE-UHFFFAOYSA-N
MW240.77 g/mol
LogP4.43
Rot. Bonds7

About 1-(5-chloroheptyl)-4-methoxybenzene

1-(5-chloroheptyl)-4-methoxybenzene (PubChem CID 65443850) has the molecular formula C14H21ClO and a molecular weight of 240.77 g/mol. Its IUPAC name is 1-(5-chloroheptyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(5-chloroheptyl)-4-methoxybenzene
PubChem CID65443850
Molecular FormulaC14H21ClO
Molecular Weight240.77 g/mol
Exact Mass240.13
IUPAC Name1-(5-chloroheptyl)-4-methoxybenzene
SMILESCCC(Cl)CCCCc1ccc(OC)cc1
InChIInChI=1S/C14H21ClO/c1-3-13(15)7-5-4-6-12-8-10-14(16-2)11-9-12/h8-11,13H,3-7H2,1-2H3
InChIKeyYRPWTSAJZJZOPE-UHFFFAOYSA-N
XLogP4.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 54.43
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'}

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Related Compounds

1-(2-chlorooctyl)-4-methoxybenzene
CID 114753869
8-(4-methoxyphenyl)octan-4-amine
CID 65442846
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
1-(4-ethoxybutyl)-4-methoxybenzene
CID 54183977
2-[5-(4-methoxyphenyl)pentyl]octanoic acid
CID 139937458
1-butyl-4-[1-chloro-2-(4-methoxyphenyl)ethyl]benzene
CID 63431732
7-(4-methoxyphenyl)-N,2,2-trimethylheptan-3-amine
CID 65443642
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
6-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloroheptyl)-4-methoxybenzene?
The IUPAC name of 1-(5-chloroheptyl)-4-methoxybenzene (CID 65443850) is 1-(5-chloroheptyl)-4-methoxybenzene.
What is the SMILES notation for 1-(5-chloroheptyl)-4-methoxybenzene?
The canonical SMILES for 1-(5-chloroheptyl)-4-methoxybenzene is CCC(Cl)CCCCc1ccc(OC)cc1.
What is the InChIKey of 1-(5-chloroheptyl)-4-methoxybenzene?
The InChIKey is YRPWTSAJZJZOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClO/c1-3-13(15)7-5-4-6-12-8-10-14(16-2)11-9-12/h8-11,13H,3-7H2,1-2H3.
What are the key properties of 1-(5-chloroheptyl)-4-methoxybenzene?
1-(5-chloroheptyl)-4-methoxybenzene has a molecular weight of 240.77 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloroheptyl)-4-methoxybenzene is sourced from PubChem (CID 65443850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).