1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene

C17H18O — CID 139666701

IUPAC1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene
SMILESCC=C(OCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O/c1-3-17(16-11-9-14(2)10-12-16)18-13-15-7-5-4-6-8-15/h3-12H,13H2,1-2H3
InChIKeyWOOPJKNDHAMTGU-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.57
Rot. Bonds4

About 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene

1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene (PubChem CID 139666701) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene
PubChem CID139666701
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene
SMILESCC=C(OCc1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H18O/c1-3-17(16-11-9-14(2)10-12-16)18-13-15-7-5-4-6-8-15/h3-12H,13H2,1-2H3
InChIKeyWOOPJKNDHAMTGU-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-1-phenylmethoxybut-1-enyl]aniline
CID 144763073
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
ethyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768490
benzyl 4-[(4-methylphenyl)diazenyl]benzoate
CID 155439607
benzyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 6711148
(Z)-2-phenylmethoxybut-2-enal
CID 155092165
methyl 4-(2-phenyl-1-phenylmethoxyethenyl)benzoate
CID 67768380
benzyl carbonochloridate;toluene
CID 86663382
benzyl (4-methylphenyl) carbonate
CID 118690287
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl 3,5-dimethylbenzoate
CID 54359872

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene?
The IUPAC name of 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene (CID 139666701) is 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene.
What is the SMILES notation for 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene?
The canonical SMILES for 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene is CC=C(OCc1ccccc1)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene?
The InChIKey is WOOPJKNDHAMTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-17(16-11-9-14(2)10-12-16)18-13-15-7-5-4-6-8-15/h3-12H,13H2,1-2H3.
What are the key properties of 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene?
1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene has a molecular weight of 238.33 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-phenylmethoxyprop-1-enyl)benzene is sourced from PubChem (CID 139666701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).