1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene

C25H28O2 — CID 91374788

IUPAC1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
SMILESCCCOc1ccc(C(c2ccccc2)c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C25H28O2/c1-3-18-26-23-14-10-21(11-15-23)25(20-8-6-5-7-9-20)22-12-16-24(17-13-22)27-19-4-2/h5-17,25H,3-4,18-19H2,1-2H3
InChIKeyTYBKPIUQWCKDQU-UHFFFAOYSA-N
MW360.50 g/mol
LogP6.44
Rot. Bonds9

About 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene

1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene (PubChem CID 91374788) has the molecular formula C25H28O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene.

Molecular Properties

Compound Name1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
PubChem CID91374788
Molecular FormulaC25H28O2
Molecular Weight360.50 g/mol
Exact Mass360.21
IUPAC Name1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
SMILESCCCOc1ccc(C(c2ccccc2)c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C25H28O2/c1-3-18-26-23-14-10-21(11-15-23)25(20-8-6-5-7-9-20)22-12-16-24(17-13-22)27-19-4-2/h5-17,25H,3-4,18-19H2,1-2H3
InChIKeyTYBKPIUQWCKDQU-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.50
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
ethoxybenzene;propoxybenzene
CID 67747691
1-phenylmethoxy-4-propoxybenzene
CID 10728874
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
propoxybenzene;sulfur dioxide
CID 174403655
magnesium;ethane;propoxybenzene;bromide
CID 175337245
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
CID 57452703
CID 57452703
1-(1-hydroperoxyethyl)-4-propoxybenzene
CID 11241018
1-pentan-3-yl-4-(4-propoxyphenyl)benzene
CID 126760661

Frequently Asked Questions

What is the IUPAC name of 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene?
The IUPAC name of 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene (CID 91374788) is 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene.
What is the SMILES notation for 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene?
The canonical SMILES for 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene is CCCOc1ccc(C(c2ccccc2)c2ccc(OCCC)cc2)cc1.
What is the InChIKey of 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene?
The InChIKey is TYBKPIUQWCKDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O2/c1-3-18-26-23-14-10-21(11-15-23)25(20-8-6-5-7-9-20)22-12-16-24(17-13-22)27-19-4-2/h5-17,25H,3-4,18-19H2,1-2H3.
What are the key properties of 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene?
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene has a molecular weight of 360.50 g/mol, XLogP of 6.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene is sourced from PubChem (CID 91374788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).