7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene

C24H26 — CID 143188504

IUPAC7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene
SMILESCc1ccc(C(C)CCC2C=CC=C(c3ccccc3)C=C2)cc1
InChIInChI=1S/C24H26/c1-19-11-16-22(17-12-19)20(2)13-14-21-7-6-10-24(18-15-21)23-8-4-3-5-9-23/h3-12,15-18,20-21H,13-14H2,1-2H3
InChIKeyFWFRMYWOFPBRRZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.70
Rot. Bonds5

About 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene

7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene (PubChem CID 143188504) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene
PubChem CID143188504
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene
SMILESCc1ccc(C(C)CCC2C=CC=C(c3ccccc3)C=C2)cc1
InChIInChI=1S/C24H26/c1-19-11-16-22(17-12-19)20(2)13-14-21-7-6-10-24(18-15-21)23-8-4-3-5-9-23/h3-12,15-18,20-21H,13-14H2,1-2H3
InChIKeyFWFRMYWOFPBRRZ-UHFFFAOYSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 142063808
1-hexan-2-yl-4-phenylbenzene
CID 57161678
1-[(2R)-1-bromopropan-2-yl]-4-phenylbenzene
CID 124511270
(2R)-N,N-dimethyl-2-(4-phenylphenyl)propan-1-amine
CID 97356699
[(5R)-5-(4-methylphenyl)hex-1-ynyl]-phenyliodanium tetrafluoroborate
CID 11016013
4-methyl-N-(4-methylphenyl)-N-[1-(4-phenylphenyl)ethyl]aniline
CID 173154873
(4S)-4-[(4R)-4-(4-methylphenyl)pentyl]cyclohex-2-en-1-one
CID 98164579
1-methyl-4-[3-(4-methylphenyl)butylsulfanyl]benzene
CID 146617256
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
(E)-5-(4-methylphenyl)-1-phenylhex-1-en-3-one
CID 6073038
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
N-[1-(4-methylphenyl)ethyl]-2-phenylpropan-1-amine
CID 43097751

Frequently Asked Questions

What is the IUPAC name of 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene?
The IUPAC name of 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene (CID 143188504) is 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene is Cc1ccc(C(C)CCC2C=CC=C(c3ccccc3)C=C2)cc1.
What is the InChIKey of 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene?
The InChIKey is FWFRMYWOFPBRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26/c1-19-11-16-22(17-12-19)20(2)13-14-21-7-6-10-24(18-15-21)23-8-4-3-5-9-23/h3-12,15-18,20-21H,13-14H2,1-2H3.
What are the key properties of 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene?
7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene has a molecular weight of 314.47 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 143188504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).