1-methoxy-2-(4-phenylbut-2-enyl)benzene

C17H18O — CID 91447895

IUPAC1-methoxy-2-(4-phenylbut-2-enyl)benzene
SMILESCOc1ccccc1CC=CCc1ccccc1
InChIInChI=1S/C17H18O/c1-18-17-14-8-7-13-16(17)12-6-5-11-15-9-3-2-4-10-15/h2-10,13-14H,11-12H2,1H3
InChIKeyPJATZKPLHCKUJL-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.04
Rot. Bonds5

About 1-methoxy-2-(4-phenylbut-2-enyl)benzene

1-methoxy-2-(4-phenylbut-2-enyl)benzene (PubChem CID 91447895) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methoxy-2-(4-phenylbut-2-enyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(4-phenylbut-2-enyl)benzene
PubChem CID91447895
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-methoxy-2-(4-phenylbut-2-enyl)benzene
SMILESCOc1ccccc1CC=CCc1ccccc1
InChIInChI=1S/C17H18O/c1-18-17-14-8-7-13-16(17)12-6-5-11-15-9-3-2-4-10-15/h2-10,13-14H,11-12H2,1H3
InChIKeyPJATZKPLHCKUJL-UHFFFAOYSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.04
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

(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390
1-(3-bromoprop-2-enyl)-2-methoxybenzene
CID 141455230
methyl (E)-5-(2-methoxyphenyl)pent-3-enoate
CID 101147955
5-(2-methoxyphenyl)pent-3-en-2-one
CID 56996331
lithium (2-methoxyphenyl)methanolate
CID 139799103
4-[3-(2-methoxyphenyl)prop-1-enyl]phenol;oxalic acid
CID 159607739
(E)-N-benzyl-N-[(2-methoxyphenyl)methyl]-3-phenylprop-2-en-1-amine
CID 122225733
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-(2-methoxyphenyl)ethanamine;hydrochloride
CID 12626553
2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
CID 66982700
4-benzyl-1-[(2-methoxyphenyl)methyl]pyridin-1-ium
CID 8860166
1-methoxy-2-[(4-phenylphenyl)methyl]benzene
CID 174370208

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(4-phenylbut-2-enyl)benzene?
The IUPAC name of 1-methoxy-2-(4-phenylbut-2-enyl)benzene (CID 91447895) is 1-methoxy-2-(4-phenylbut-2-enyl)benzene.
What is the SMILES notation for 1-methoxy-2-(4-phenylbut-2-enyl)benzene?
The canonical SMILES for 1-methoxy-2-(4-phenylbut-2-enyl)benzene is COc1ccccc1CC=CCc1ccccc1.
What is the InChIKey of 1-methoxy-2-(4-phenylbut-2-enyl)benzene?
The InChIKey is PJATZKPLHCKUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-18-17-14-8-7-13-16(17)12-6-5-11-15-9-3-2-4-10-15/h2-10,13-14H,11-12H2,1H3.
What are the key properties of 1-methoxy-2-(4-phenylbut-2-enyl)benzene?
1-methoxy-2-(4-phenylbut-2-enyl)benzene has a molecular weight of 238.33 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(4-phenylbut-2-enyl)benzene is sourced from PubChem (CID 91447895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).