1-(chloromethyl)-4-(4-nonylphenyl)benzene

C22H29Cl — CID 21284608

IUPAC1-(chloromethyl)-4-(4-nonylphenyl)benzene
SMILESCCCCCCCCCc1ccc(-c2ccc(CCl)cc2)cc1
InChIInChI=1S/C22H29Cl/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9,18H2,1H3
InChIKeyKOMSARBINGVSBT-UHFFFAOYSA-N
MW328.93 g/mol
LogP7.39
Rot. Bonds10

About 1-(chloromethyl)-4-(4-nonylphenyl)benzene

1-(chloromethyl)-4-(4-nonylphenyl)benzene (PubChem CID 21284608) has the molecular formula C22H29Cl and a molecular weight of 328.93 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(4-nonylphenyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(4-nonylphenyl)benzene
PubChem CID21284608
Molecular FormulaC22H29Cl
Molecular Weight328.93 g/mol
Exact Mass328.20
IUPAC Name1-(chloromethyl)-4-(4-nonylphenyl)benzene
SMILESCCCCCCCCCc1ccc(-c2ccc(CCl)cc2)cc1
InChIInChI=1S/C22H29Cl/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9,18H2,1H3
InChIKeyKOMSARBINGVSBT-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.93
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-pentadecyl-4-phenylbenzene
CID 57166115
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1-butyl-4-nonylbenzene
CID 59545302
4-(4-octadecylphenyl)benzenethiol
CID 134936183
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
1-methyl-4-octylbenzene
CID 11052746
1,3,5-tris(4-phenylphenyl)-2,4,6-tris(4-tetradecylphenyl)benzene
CID 132609480
4-hexyl-N-[4-[4-(4-hexylanilino)phenyl]phenyl]aniline
CID 102049508
1-(chloromethyl)-4-(4-decoxyphenyl)benzene
CID 14794612
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(4-nonylphenyl)benzene?
The IUPAC name of 1-(chloromethyl)-4-(4-nonylphenyl)benzene (CID 21284608) is 1-(chloromethyl)-4-(4-nonylphenyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(4-nonylphenyl)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(4-nonylphenyl)benzene is CCCCCCCCCc1ccc(-c2ccc(CCl)cc2)cc1.
What is the InChIKey of 1-(chloromethyl)-4-(4-nonylphenyl)benzene?
The InChIKey is KOMSARBINGVSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29Cl/c1-2-3-4-5-6-7-8-9-19-10-14-21(15-11-19)22-16-12-20(18-23)13-17-22/h10-17H,2-9,18H2,1H3.
What are the key properties of 1-(chloromethyl)-4-(4-nonylphenyl)benzene?
1-(chloromethyl)-4-(4-nonylphenyl)benzene has a molecular weight of 328.93 g/mol, XLogP of 7.39, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(4-nonylphenyl)benzene is sourced from PubChem (CID 21284608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).