(7-chloro-4-methyl-1-phenylheptyl)benzene

C20H25Cl — CID 174655808

IUPAC(7-chloro-4-methyl-1-phenylheptyl)benzene
SMILESCC(CCCCl)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25Cl/c1-17(9-8-16-21)14-15-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3
InChIKeyNPCUTKYKEZGJQY-UHFFFAOYSA-N
MW300.87 g/mol
LogP6.25
Rot. Bonds8

About (7-chloro-4-methyl-1-phenylheptyl)benzene

(7-chloro-4-methyl-1-phenylheptyl)benzene (PubChem CID 174655808) has the molecular formula C20H25Cl and a molecular weight of 300.87 g/mol. Its IUPAC name is (7-chloro-4-methyl-1-phenylheptyl)benzene.

Molecular Properties

Compound Name(7-chloro-4-methyl-1-phenylheptyl)benzene
PubChem CID174655808
Molecular FormulaC20H25Cl
Molecular Weight300.87 g/mol
Exact Mass300.16
IUPAC Name(7-chloro-4-methyl-1-phenylheptyl)benzene
SMILESCC(CCCCl)CCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H25Cl/c1-17(9-8-16-21)14-15-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3
InChIKeyNPCUTKYKEZGJQY-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.87
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-chloropentan-2-ylbenzene
CID 524354
(1,5-dichloro-2-methylpentyl)benzene
CID 174512568
1,5-dichloropentan-2-ylbenzene
CID 70049955
4-chlorobutan-2-ylbenzene
CID 570466
5-chloro-1-phenylpentan-1-ol
CID 14449235
(3-methyl-1-phenyldodecyl)benzene
CID 91396098
N,N-bis(2-chloroethyl)-1-phenylethanamine;hydrochloride
CID 138396559
6-chloro-1-phenylhexan-1-ol
CID 10398289
12,12-diphenyldodecyl(trihydroxy)phosphanium
CID 66694525
1-(chloromethyl)-4-(1-phenylbutyl)benzene
CID 22408251
1-chloropentane;phenylmethanediamine
CID 174896125
1,4,4-triphenylbutan-1-ol
CID 141326006

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-methyl-1-phenylheptyl)benzene?
The IUPAC name of (7-chloro-4-methyl-1-phenylheptyl)benzene (CID 174655808) is (7-chloro-4-methyl-1-phenylheptyl)benzene.
What is the SMILES notation for (7-chloro-4-methyl-1-phenylheptyl)benzene?
The canonical SMILES for (7-chloro-4-methyl-1-phenylheptyl)benzene is CC(CCCCl)CCC(c1ccccc1)c1ccccc1.
What is the InChIKey of (7-chloro-4-methyl-1-phenylheptyl)benzene?
The InChIKey is NPCUTKYKEZGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl/c1-17(9-8-16-21)14-15-20(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3.
What are the key properties of (7-chloro-4-methyl-1-phenylheptyl)benzene?
(7-chloro-4-methyl-1-phenylheptyl)benzene has a molecular weight of 300.87 g/mol, XLogP of 6.25, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-methyl-1-phenylheptyl)benzene is sourced from PubChem (CID 174655808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).