2,5-bis[4-(4-propylphenyl)cyclohexyl]furan

C34H44O — CID 141384048

IUPAC2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
SMILESCCCc1ccc(C2CCC(c3ccc(C4CCC(c5ccc(CCC)cc5)CC4)o3)CC2)cc1
InChIInChI=1S/C34H44O/c1-3-5-25-7-11-27(12-8-25)29-15-19-31(20-16-29)33-23-24-34(35-33)32-21-17-30(18-22-32)28-13-9-26(6-4-2)10-14-28/h7-14,23-24,29-32H,3-6,15-22H2,1-2H3
InChIKeyVJHSXKTXSDMZLM-UHFFFAOYSA-N
MW468.73 g/mol
LogP10.07
Rot. Bonds8

About 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan

2,5-bis[4-(4-propylphenyl)cyclohexyl]furan (PubChem CID 141384048) has the molecular formula C34H44O and a molecular weight of 468.73 g/mol. Its IUPAC name is 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan.

Molecular Properties

Compound Name2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
PubChem CID141384048
Molecular FormulaC34H44O
Molecular Weight468.73 g/mol
Exact Mass468.34
IUPAC Name2,5-bis[4-(4-propylphenyl)cyclohexyl]furan
SMILESCCCc1ccc(C2CCC(c3ccc(C4CCC(c5ccc(CCC)cc5)CC4)o3)CC2)cc1
InChIInChI=1S/C34H44O/c1-3-5-25-7-11-27(12-8-25)29-15-19-31(20-16-29)33-23-24-34(35-33)32-21-17-30(18-22-32)28-13-9-26(6-4-2)10-14-28/h7-14,23-24,29-32H,3-6,15-22H2,1-2H3
InChIKeyVJHSXKTXSDMZLM-UHFFFAOYSA-N
XLogP10.07
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.73
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
1-(4-cyclohexylcyclohexyl)-4-propylbenzene
CID 57093507
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
3-(4-propylphenyl)oxetane
CID 130361103
(2R,4aR,8aR)-2-(4-propylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 56620245
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
2-(4-cyclopropylphenyl)-N-ethylethanamine
CID 79978257
2-[4-(4-propylcyclohexyl)phenyl]-5-(4-propylphenyl)-1,3-dioxane
CID 70410242
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
CID 56985726
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1,2-difluoro-4-[4-[4-(4-propylphenyl)cyclohexyl]cyclohexyl]benzene
CID 19892612
3-(4-propylphenyl)oxane
CID 21248099

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan?
The IUPAC name of 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan (CID 141384048) is 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan.
What is the SMILES notation for 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan?
The canonical SMILES for 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan is CCCc1ccc(C2CCC(c3ccc(C4CCC(c5ccc(CCC)cc5)CC4)o3)CC2)cc1.
What is the InChIKey of 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan?
The InChIKey is VJHSXKTXSDMZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44O/c1-3-5-25-7-11-27(12-8-25)29-15-19-31(20-16-29)33-23-24-34(35-33)32-21-17-30(18-22-32)28-13-9-26(6-4-2)10-14-28/h7-14,23-24,29-32H,3-6,15-22H2,1-2H3.
What are the key properties of 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan?
2,5-bis[4-(4-propylphenyl)cyclohexyl]furan has a molecular weight of 468.73 g/mol, XLogP of 10.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-(4-propylphenyl)cyclohexyl]furan is sourced from PubChem (CID 141384048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).