1-hexan-3-yl-3-phenylmethoxybenzene

C19H24O — CID 91388461

IUPAC1-hexan-3-yl-3-phenylmethoxybenzene
SMILESCCCC(CC)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H24O/c1-3-9-17(4-2)18-12-8-13-19(14-18)20-15-16-10-6-5-7-11-16/h5-8,10-14,17H,3-4,9,15H2,1-2H3
InChIKeyDRPNKZDZKYTUTG-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.56
Rot. Bonds7

About 1-hexan-3-yl-3-phenylmethoxybenzene

1-hexan-3-yl-3-phenylmethoxybenzene (PubChem CID 91388461) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-hexan-3-yl-3-phenylmethoxybenzene.

Molecular Properties

Compound Name1-hexan-3-yl-3-phenylmethoxybenzene
PubChem CID91388461
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-hexan-3-yl-3-phenylmethoxybenzene
SMILESCCCC(CC)c1cccc(OCc2ccccc2)c1
InChIInChI=1S/C19H24O/c1-3-9-17(4-2)18-12-8-13-19(14-18)20-15-16-10-6-5-7-11-16/h5-8,10-14,17H,3-4,9,15H2,1-2H3
InChIKeyDRPNKZDZKYTUTG-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3-phenylmethoxyphenyl)butan-1-amine
CID 139719271
3,5-bis(3-phenylmethoxyphenyl)heptan-4-one
CID 139719265
1-phenylmethoxy-3-propylbenzene
CID 58977798
3-phenyl-2-(3-phenylmethoxyphenyl)propan-1-amine
CID 83973248
2-methyl-1-(3-phenylmethoxyphenyl)hexan-1-ol
CID 21288530
(1R)-1-(3-phenylmethoxyphenyl)propane-1,3-diamine
CID 171211251
1-(3-phenylmethoxyphenyl)propane-1,2-diol
CID 137375721
2-[hydroxy-(3-phenylmethoxyphenyl)methyl]butanoic acid
CID 67882455
[(1S)-2-ethoxy-2-oxo-1-(3-phenylmethoxyphenyl)ethyl]azanium
CID 7046932
(1S,2R)-1-amino-1-(3-phenylmethoxyphenyl)propan-2-ol
CID 171270166
(1S)-2,2-dimethyl-1-(3-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243477
2-[(3-phenylmethoxyphenyl)methyl]pentanoic acid
CID 84752879

Frequently Asked Questions

What is the IUPAC name of 1-hexan-3-yl-3-phenylmethoxybenzene?
The IUPAC name of 1-hexan-3-yl-3-phenylmethoxybenzene (CID 91388461) is 1-hexan-3-yl-3-phenylmethoxybenzene.
What is the SMILES notation for 1-hexan-3-yl-3-phenylmethoxybenzene?
The canonical SMILES for 1-hexan-3-yl-3-phenylmethoxybenzene is CCCC(CC)c1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-hexan-3-yl-3-phenylmethoxybenzene?
The InChIKey is DRPNKZDZKYTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-3-9-17(4-2)18-12-8-13-19(14-18)20-15-16-10-6-5-7-11-16/h5-8,10-14,17H,3-4,9,15H2,1-2H3.
What are the key properties of 1-hexan-3-yl-3-phenylmethoxybenzene?
1-hexan-3-yl-3-phenylmethoxybenzene has a molecular weight of 268.40 g/mol, XLogP of 5.56, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexan-3-yl-3-phenylmethoxybenzene is sourced from PubChem (CID 91388461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).