1-pentan-3-yl-4-(4-propoxyphenyl)benzene

C20H26O — CID 126760661

IUPAC1-pentan-3-yl-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(C(CC)CC)cc2)cc1
InChIInChI=1S/C20H26O/c1-4-15-21-20-13-11-19(12-14-20)18-9-7-17(8-10-18)16(5-2)6-3/h7-14,16H,4-6,15H2,1-3H3
InChIKeyXTEUQMFXUHXCMC-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.05
Rot. Bonds7

About 1-pentan-3-yl-4-(4-propoxyphenyl)benzene

1-pentan-3-yl-4-(4-propoxyphenyl)benzene (PubChem CID 126760661) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-pentan-3-yl-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-pentan-3-yl-4-(4-propoxyphenyl)benzene
PubChem CID126760661
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-pentan-3-yl-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(C(CC)CC)cc2)cc1
InChIInChI=1S/C20H26O/c1-4-15-21-20-13-11-19(12-14-20)18-9-7-17(8-10-18)16(5-2)6-3/h7-14,16H,4-6,15H2,1-3H3
InChIKeyXTEUQMFXUHXCMC-UHFFFAOYSA-N
XLogP6.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
1-propoxy-4-[4-(1-propoxyethyl)phenyl]benzene
CID 139694252
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
2-[4-(4-octoxyphenyl)phenyl]propane-1,3-diol
CID 70414830
(4-propoxyphenyl)-[4-[4-[4-[(4-propoxyphenyl)diazenyl]phenyl]phenyl]phenyl]diazene
CID 139387262
(4-methoxyphenyl)-(4-propoxyphenyl)methanamine
CID 62796455
1-(1-nonoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693595
1-(1-decoxyethyl)-4-(4-propoxyphenyl)benzene
CID 139693864
(3,5-dimethylphenyl)-(4-propoxyphenyl)methanamine
CID 115853243
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788
2,2,2-trifluoro-1-(4-propoxyphenyl)ethanamine
CID 63896619
3-(4-butoxyphenyl)pentanedinitrile
CID 20546125

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-4-(4-propoxyphenyl)benzene?
The IUPAC name of 1-pentan-3-yl-4-(4-propoxyphenyl)benzene (CID 126760661) is 1-pentan-3-yl-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-pentan-3-yl-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-pentan-3-yl-4-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(C(CC)CC)cc2)cc1.
What is the InChIKey of 1-pentan-3-yl-4-(4-propoxyphenyl)benzene?
The InChIKey is XTEUQMFXUHXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-4-15-21-20-13-11-19(12-14-20)18-9-7-17(8-10-18)16(5-2)6-3/h7-14,16H,4-6,15H2,1-3H3.
What are the key properties of 1-pentan-3-yl-4-(4-propoxyphenyl)benzene?
1-pentan-3-yl-4-(4-propoxyphenyl)benzene has a molecular weight of 282.43 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 126760661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).