1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene

C20H26O — CID 57147000

IUPAC1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
SMILESCC(C)C(C)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-16(2)17(3)9-10-18-11-13-20(14-12-18)21-15-19-7-5-4-6-8-19/h4-8,11-14,16-17H,9-10,15H2,1-3H3
InChIKeyIFAFKRCTUWVVKG-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.49
Rot. Bonds7

About 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene

1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene (PubChem CID 57147000) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene.

Molecular Properties

Compound Name1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
PubChem CID57147000
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
SMILESCC(C)C(C)CCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H26O/c1-16(2)17(3)9-10-18-11-13-20(14-12-18)21-15-19-7-5-4-6-8-19/h4-8,11-14,16-17H,9-10,15H2,1-3H3
InChIKeyIFAFKRCTUWVVKG-UHFFFAOYSA-N
XLogP5.49
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 ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
CID 19885180
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
methyl 3-hydroxy-4-methyl-2-[2-(4-phenylmethoxyphenyl)ethyl]pentanoate
CID 67666710
5-[[4-(3,4-dimethylpentyl)phenoxy]methyl]-2H-tetrazole
CID 20673419
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
(2R)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490297
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
1-(2-phenoxypropyl)-4-phenylmethoxybenzene
CID 150936303
(2S)-2-(4-phenylmethoxyphenoxy)propanoic acid
CID 1490295

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene?
The IUPAC name of 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene (CID 57147000) is 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene.
What is the SMILES notation for 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene?
The canonical SMILES for 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene is CC(C)C(C)CCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene?
The InChIKey is IFAFKRCTUWVVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-16(2)17(3)9-10-18-11-13-20(14-12-18)21-15-19-7-5-4-6-8-19/h4-8,11-14,16-17H,9-10,15H2,1-3H3.
What are the key properties of 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene?
1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene has a molecular weight of 282.43 g/mol, XLogP of 5.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene is sourced from PubChem (CID 57147000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).