1-methoxy-4-oct-4-en-4-ylbenzene

C15H22O — CID 72965234

IUPAC1-methoxy-4-oct-4-en-4-ylbenzene
SMILESCCCC=C(CCC)c1ccc(OC)cc1
InChIInChI=1S/C15H22O/c1-4-6-8-13(7-5-2)14-9-11-15(16-3)12-10-14/h8-12H,4-7H2,1-3H3
InChIKeySQQSEZVOWZMULC-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.68
Rot. Bonds6

About 1-methoxy-4-oct-4-en-4-ylbenzene

1-methoxy-4-oct-4-en-4-ylbenzene (PubChem CID 72965234) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-methoxy-4-oct-4-en-4-ylbenzene.

Molecular Properties

Compound Name1-methoxy-4-oct-4-en-4-ylbenzene
PubChem CID72965234
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-methoxy-4-oct-4-en-4-ylbenzene
SMILESCCCC=C(CCC)c1ccc(OC)cc1
InChIInChI=1S/C15H22O/c1-4-6-8-13(7-5-2)14-9-11-15(16-3)12-10-14/h8-12H,4-7H2,1-3H3
InChIKeySQQSEZVOWZMULC-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-4-oct-4-en-4-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
(E)-2-(4-methoxyphenyl)hex-2-enamide
CID 67977554
1-methoxy-4-pent-2-en-3-ylbenzene
CID 85440848
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-methoxy-4-[(Z)-1-(4-methoxyphenyl)but-1-en-2-yl]benzene
CID 22860829
1-(4-methoxyphenyl)-5-methylhex-4-en-1-one
CID 11160278
methyl 5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169370
(E)-5-(4-methoxyphenyl)hex-4-enoic acid
CID 82079765
4-methoxy-2-[(E)-1-(4-methoxyphenyl)pent-1-en-2-yl]-1-methylsulfanylbenzene
CID 19370413
(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
4-(4-methoxyphenyl)pent-3-en-1-amine
CID 76997387
1-methoxy-4-[(Z)-1,1,1-trifluorotridec-2-en-2-yl]benzene
CID 122222389

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-oct-4-en-4-ylbenzene?
The IUPAC name of 1-methoxy-4-oct-4-en-4-ylbenzene (CID 72965234) is 1-methoxy-4-oct-4-en-4-ylbenzene.
What is the SMILES notation for 1-methoxy-4-oct-4-en-4-ylbenzene?
The canonical SMILES for 1-methoxy-4-oct-4-en-4-ylbenzene is CCCC=C(CCC)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-oct-4-en-4-ylbenzene?
The InChIKey is SQQSEZVOWZMULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-4-6-8-13(7-5-2)14-9-11-15(16-3)12-10-14/h8-12H,4-7H2,1-3H3.
What are the key properties of 1-methoxy-4-oct-4-en-4-ylbenzene?
1-methoxy-4-oct-4-en-4-ylbenzene has a molecular weight of 218.34 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-oct-4-en-4-ylbenzene is sourced from PubChem (CID 72965234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).