4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene

C19H23ClO — CID 21281407

IUPAC4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene
SMILESCc1cc(OCCCCCCCl)ccc1-c1ccccc1
InChIInChI=1S/C19H23ClO/c1-16-15-18(21-14-8-3-2-7-13-20)11-12-19(16)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3
InChIKeyXJJONMHNCPBYMC-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.84
Rot. Bonds8

About 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene

4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene (PubChem CID 21281407) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene.

Molecular Properties

Compound Name4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene
PubChem CID21281407
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene
SMILESCc1cc(OCCCCCCCl)ccc1-c1ccccc1
InChIInChI=1S/C19H23ClO/c1-16-15-18(21-14-8-3-2-7-13-20)11-12-19(16)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3
InChIKeyXJJONMHNCPBYMC-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.84
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

5-(4-chlorobutoxy)-1,3-dimethyl-2-phenylbenzene
CID 21281265
1-(4-chlorobutoxy)-3-(2-methylphenyl)benzene
CID 21281277
1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
4-(3-chloropropoxy)-1,2-dimethylbenzene
CID 16788005
1-(8-chlorooctoxy)-2-phenylbenzene
CID 70493005
5-butoxy-2-phenylphenol
CID 70451587
2-fluoro-4-[9-[3-fluoro-4-[4-(4-fluorophenyl)-3-methylphenyl]phenoxy]nonoxy]-1-[4-(4-fluorophenyl)-3-methylphenyl]benzene
CID 118260681
5-(4-chlorobutoxy)-2-(2,6-dimethylphenyl)-1,3-dimethylbenzene
CID 21281297
5-dodecoxy-2-phenylbenzoic acid
CID 23289015
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623
1-(5-chloropentoxy)-3-ethoxybenzene
CID 62338455
2-[4-(4-fluorophenyl)-3-methylphenoxy]ethanamine
CID 163407569

Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene?
The IUPAC name of 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene (CID 21281407) is 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene.
What is the SMILES notation for 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene?
The canonical SMILES for 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene is Cc1cc(OCCCCCCCl)ccc1-c1ccccc1.
What is the InChIKey of 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene?
The InChIKey is XJJONMHNCPBYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-16-15-18(21-14-8-3-2-7-13-20)11-12-19(16)17-9-5-4-6-10-17/h4-6,9-12,15H,2-3,7-8,13-14H2,1H3.
What are the key properties of 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene?
4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene has a molecular weight of 302.85 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorohexoxy)-2-methyl-1-phenylbenzene is sourced from PubChem (CID 21281407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).