1-phenylmethoxy-4-propoxybenzene

C16H18O2 — CID 10728874

IUPAC1-phenylmethoxy-4-propoxybenzene
SMILESCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O2/c1-2-12-17-15-8-10-16(11-9-15)18-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyNHLVTFAOWFFVBU-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.05
Rot. Bonds6

About 1-phenylmethoxy-4-propoxybenzene

1-phenylmethoxy-4-propoxybenzene (PubChem CID 10728874) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-phenylmethoxy-4-propoxybenzene.

Molecular Properties

Compound Name1-phenylmethoxy-4-propoxybenzene
PubChem CID10728874
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name1-phenylmethoxy-4-propoxybenzene
SMILESCCCOc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C16H18O2/c1-2-12-17-15-8-10-16(11-9-15)18-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3
InChIKeyNHLVTFAOWFFVBU-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenylmethoxy-4-[9-(4-phenylmethoxyphenoxy)nonoxy]benzene
CID 43835980
CID 161224902
CID 161224902
azane;propoxybenzene
CID 66667480
phenoxymethylbenzene;tetradecane
CID 175006528
ethene;1-ethoxy-4-phenylmethoxybenzene
CID 174705965
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
1-phenylmethoxy-4-(2-propan-2-yloxyethoxy)benzene
CID 58914302
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
ethoxybenzene;propoxybenzene
CID 67747691
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
2-methyl-4-(4-phenylmethoxyphenoxy)butan-2-ol
CID 79353304
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-4-propoxybenzene?
The IUPAC name of 1-phenylmethoxy-4-propoxybenzene (CID 10728874) is 1-phenylmethoxy-4-propoxybenzene.
What is the SMILES notation for 1-phenylmethoxy-4-propoxybenzene?
The canonical SMILES for 1-phenylmethoxy-4-propoxybenzene is CCCOc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-phenylmethoxy-4-propoxybenzene?
The InChIKey is NHLVTFAOWFFVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-2-12-17-15-8-10-16(11-9-15)18-13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3.
What are the key properties of 1-phenylmethoxy-4-propoxybenzene?
1-phenylmethoxy-4-propoxybenzene has a molecular weight of 242.32 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-4-propoxybenzene is sourced from PubChem (CID 10728874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).