1-phenylmethoxy-3-propylbenzene

C16H18O — CID 58977798

IUPAC1-phenylmethoxy-3-propylbenzene
SMILESCCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O/c1-2-7-14-10-6-11-16(12-14)17-13-15-8-4-3-5-9-15/h3-6,8-12H,2,7,13H2,1H3
InChIKeyJXWILKNRPUMKIG-UHFFFAOYSA-N
MW226.32 g/mol
LogP4.22
Rot. Bonds5

About 1-phenylmethoxy-3-propylbenzene

1-phenylmethoxy-3-propylbenzene (PubChem CID 58977798) has the molecular formula C16H18O and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-phenylmethoxy-3-propylbenzene.

Molecular Properties

Compound Name1-phenylmethoxy-3-propylbenzene
PubChem CID58977798
Molecular FormulaC16H18O
Molecular Weight226.32 g/mol
Exact Mass226.14
IUPAC Name1-phenylmethoxy-3-propylbenzene
SMILESCCCc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C16H18O/c1-2-7-14-10-6-11-16(12-14)17-13-15-8-4-3-5-9-15/h3-6,8-12H,2,7,13H2,1H3
InChIKeyJXWILKNRPUMKIG-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(methoxymethyl)-3-phenylmethoxybenzene
CID 59224255
N-ethyl-N-[(3-phenylmethoxyphenyl)methyl]ethanamine
CID 4675153
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-methoxy-3-propylbenzene
CID 14270128
1-hexan-3-yl-3-phenylmethoxybenzene
CID 91388461
N-[(3-phenylmethoxyphenyl)methyl]butan-1-amine
CID 4722064
1-butyl-3-(4-phenylmethoxybutoxy)benzene
CID 69097411
1-(2,2-difluoroethoxy)-3-propylbenzene
CID 163241984
N-[2-(3-phenylmethoxyphenyl)ethyl]pentanamide
CID 11823080
1-bromo-4-phenylmethoxy-2-propylbenzene
CID 58754092
phenoxymethylbenzene;tetradecane
CID 175006528
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-propylbenzene?
The IUPAC name of 1-phenylmethoxy-3-propylbenzene (CID 58977798) is 1-phenylmethoxy-3-propylbenzene.
What is the SMILES notation for 1-phenylmethoxy-3-propylbenzene?
The canonical SMILES for 1-phenylmethoxy-3-propylbenzene is CCCc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-phenylmethoxy-3-propylbenzene?
The InChIKey is JXWILKNRPUMKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O/c1-2-7-14-10-6-11-16(12-14)17-13-15-8-4-3-5-9-15/h3-6,8-12H,2,7,13H2,1H3.
What are the key properties of 1-phenylmethoxy-3-propylbenzene?
1-phenylmethoxy-3-propylbenzene has a molecular weight of 226.32 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-propylbenzene is sourced from PubChem (CID 58977798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).