2-[5-(4-methylphenyl)-6-phenylhexyl]furan

C23H26O — CID 156599733

IUPAC2-[5-(4-methylphenyl)-6-phenylhexyl]furan
SMILESCc1ccc(C(CCCCc2ccco2)Cc2ccccc2)cc1
InChIInChI=1S/C23H26O/c1-19-13-15-21(16-14-19)22(18-20-8-3-2-4-9-20)10-5-6-11-23-12-7-17-24-23/h2-4,7-9,12-17,22H,5-6,10-11,18H2,1H3
InChIKeyALARXAMRWFZBNZ-UHFFFAOYSA-N
MW318.46 g/mol
LogP6.33
Rot. Bonds8

About 2-[5-(4-methylphenyl)-6-phenylhexyl]furan

2-[5-(4-methylphenyl)-6-phenylhexyl]furan (PubChem CID 156599733) has the molecular formula C23H26O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)-6-phenylhexyl]furan.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)-6-phenylhexyl]furan
PubChem CID156599733
Molecular FormulaC23H26O
Molecular Weight318.46 g/mol
Exact Mass318.20
IUPAC Name2-[5-(4-methylphenyl)-6-phenylhexyl]furan
SMILESCc1ccc(C(CCCCc2ccco2)Cc2ccccc2)cc1
InChIInChI=1S/C23H26O/c1-19-13-15-21(16-14-19)22(18-20-8-3-2-4-9-20)10-5-6-11-23-12-7-17-24-23/h2-4,7-9,12-17,22H,5-6,10-11,18H2,1H3
InChIKeyALARXAMRWFZBNZ-UHFFFAOYSA-N
XLogP6.33
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(furan-2-yl)-1-(4-methylphenyl)butan-2-amine
CID 61077814
(3R)-N-(furan-2-ylmethyl)-3,4-diphenylbutan-1-amine
CID 40900150
5-(furan-2-yl)-4-phenylpentan-1-amine
CID 140971933
1-phenylundecan-2-ylbenzene
CID 22919994
1-phenyltridecan-2-ylbenzene
CID 22919631
4-(furan-2-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349155
4-(furan-2-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]butan-2-amine
CID 81349893
N-(furan-2-ylmethyl)-N-[(3R)-3-(4-methoxyphenyl)-4-phenylbutyl]acetamide
CID 1427005
N-ethyl-4-(furan-2-yl)-1-phenylbutan-2-amine
CID 61064729
2-(6-methyloctyl)furan
CID 86091629
N-[5-(4-methylphenyl)-4-phenylpentyl]formamide
CID 155049356
7-(furan-2-yl)-2-phenylheptanethioic S-acid
CID 88622330

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)-6-phenylhexyl]furan?
The IUPAC name of 2-[5-(4-methylphenyl)-6-phenylhexyl]furan (CID 156599733) is 2-[5-(4-methylphenyl)-6-phenylhexyl]furan.
What is the SMILES notation for 2-[5-(4-methylphenyl)-6-phenylhexyl]furan?
The canonical SMILES for 2-[5-(4-methylphenyl)-6-phenylhexyl]furan is Cc1ccc(C(CCCCc2ccco2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)-6-phenylhexyl]furan?
The InChIKey is ALARXAMRWFZBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O/c1-19-13-15-21(16-14-19)22(18-20-8-3-2-4-9-20)10-5-6-11-23-12-7-17-24-23/h2-4,7-9,12-17,22H,5-6,10-11,18H2,1H3.
What are the key properties of 2-[5-(4-methylphenyl)-6-phenylhexyl]furan?
2-[5-(4-methylphenyl)-6-phenylhexyl]furan has a molecular weight of 318.46 g/mol, XLogP of 6.33, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)-6-phenylhexyl]furan is sourced from PubChem (CID 156599733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).