3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol

C30H38O2 — CID 118150653

IUPAC3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol
SMILESCCCCc1ccc(COc2ccc(-c3ccc(CCCO)cc3CC)c(CC)c2)cc1
InChIInChI=1S/C30H38O2/c1-4-7-9-23-11-13-25(14-12-23)22-32-28-16-18-30(27(6-3)21-28)29-17-15-24(10-8-19-31)20-26(29)5-2/h11-18,20-21,31H,4-10,19,22H2,1-3H3
InChIKeyBNDFULFBMUNUNC-UHFFFAOYSA-N
MW430.63 g/mol
LogP7.32
Rot. Bonds12

About 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol

3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol (PubChem CID 118150653) has the molecular formula C30H38O2 and a molecular weight of 430.63 g/mol. Its IUPAC name is 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol
PubChem CID118150653
Molecular FormulaC30H38O2
Molecular Weight430.63 g/mol
Exact Mass430.29
IUPAC Name3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol
SMILESCCCCc1ccc(COc2ccc(-c3ccc(CCCO)cc3CC)c(CC)c2)cc1
InChIInChI=1S/C30H38O2/c1-4-7-9-23-11-13-25(14-12-23)22-32-28-16-18-30(27(6-3)21-28)29-17-15-24(10-8-19-31)20-26(29)5-2/h11-18,20-21,31H,4-10,19,22H2,1-3H3
InChIKeyBNDFULFBMUNUNC-UHFFFAOYSA-N
XLogP7.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631
4-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]butan-1-ol;2-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]ethanol;[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]methanol;5-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]pentan-1-ol;3-[4-[4-[2-(4-butylphenyl)ethyl]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol;4-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]butan-1-ol;2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol;[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]methanol;5-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]pentan-1-ol;3-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]propan-1-ol
CID 161060836
2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
CID 118150619
2-[4-[2-ethyl-4-(4-hexylphenyl)phenyl]phenoxy]ethanol
CID 163793056
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545
1-ethyl-4-[(4-pentylphenyl)methoxy]benzene
CID 142992218
2-[4-[3-ethyl-4-[2-ethyl-4-(3-hydroxypropyl)phenyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 118699985
3-[(4-butylphenyl)methoxy]benzoic acid
CID 66912959
4-[(4-butylphenoxy)methyl]aniline
CID 115492301
5-(4-butylphenoxy)pentan-1-ol
CID 113322723
2-[4-[(4-ethylphenyl)methoxy]phenyl]ethanol
CID 103844538
methyl 2-ethyl-4-(3-hydroxypropyl)benzoate
CID 146627356

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol?
The IUPAC name of 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol (CID 118150653) is 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol?
The canonical SMILES for 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol is CCCCc1ccc(COc2ccc(-c3ccc(CCCO)cc3CC)c(CC)c2)cc1.
What is the InChIKey of 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol?
The InChIKey is BNDFULFBMUNUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38O2/c1-4-7-9-23-11-13-25(14-12-23)22-32-28-16-18-30(27(6-3)21-28)29-17-15-24(10-8-19-31)20-26(29)5-2/h11-18,20-21,31H,4-10,19,22H2,1-3H3.
What are the key properties of 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol?
3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol has a molecular weight of 430.63 g/mol, XLogP of 7.32, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[(4-butylphenyl)methoxy]-2-ethylphenyl]-3-ethylphenyl]propan-1-ol is sourced from PubChem (CID 118150653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).