2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene

C20H24O — CID 83937167

IUPAC2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
SMILESC/C=C\C(C)Cc1ccc(OCc2ccccc2)cc1C
InChIInChI=1S/C20H24O/c1-4-8-16(2)13-19-11-12-20(14-17(19)3)21-15-18-9-6-5-7-10-18/h4-12,14,16H,13,15H2,1-3H3/b8-4-
InChIKeyMFXVRRPNSCZEKT-YWEYNIOJSA-N
MW280.41 g/mol
LogP5.33
Rot. Bonds6

About 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene

2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene (PubChem CID 83937167) has the molecular formula C20H24O and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene.

Molecular Properties

Compound Name2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
PubChem CID83937167
Molecular FormulaC20H24O
Molecular Weight280.41 g/mol
Exact Mass280.18
IUPAC Name2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene
SMILESC/C=C\C(C)Cc1ccc(OCc2ccccc2)cc1C
InChIInChI=1S/C20H24O/c1-4-8-16(2)13-19-11-12-20(14-17(19)3)21-15-18-9-6-5-7-10-18/h4-12,14,16H,13,15H2,1-3H3/b8-4-
InChIKeyMFXVRRPNSCZEKT-YWEYNIOJSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-[(Z)-2-methylpent-3-enyl]phenol
CID 83923372
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 59522903
2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
CID 83937148
2-methyl-4-phenylmethoxybenzenethiol
CID 142266616
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170
3-methyl-1-(2-methyl-4-phenylmethoxyphenyl)butan-1-one
CID 146005137
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
1-[2,5-bis(phenylmethoxy)phenyl]propan-2-amine
CID 170864797
(1S,2R)-2-amino-1-(2-methyl-4-phenylmethoxyphenyl)propan-1-ol
CID 139820128
2-(2-aminobutyl)-5-phenylmethoxyphenol
CID 170889335
1-ethynyl-2-methyl-4-phenylmethoxybenzene
CID 146673536

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene?
The IUPAC name of 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene (CID 83937167) is 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene.
What is the SMILES notation for 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene?
The canonical SMILES for 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene is C/C=C\C(C)Cc1ccc(OCc2ccccc2)cc1C.
What is the InChIKey of 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene?
The InChIKey is MFXVRRPNSCZEKT-YWEYNIOJSA-N. The full InChI is InChI=1S/C20H24O/c1-4-8-16(2)13-19-11-12-20(14-17(19)3)21-15-18-9-6-5-7-10-18/h4-12,14,16H,13,15H2,1-3H3/b8-4-.
What are the key properties of 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene?
2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene has a molecular weight of 280.41 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(Z)-2-methylpent-3-enyl]-4-phenylmethoxybenzene is sourced from PubChem (CID 83937167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).