1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene

C17H22O — CID 138616015

IUPAC1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene
SMILESC=C1CCCCC1C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C17H22O/c1-14-6-3-4-8-16(14)9-5-7-15-10-12-17(18-2)13-11-15/h5,7,10-13,16H,1,3-4,6,8-9H2,2H3/b7-5+
InChIKeyBSRXHDNQTIEBNS-FNORWQNLSA-N
MW242.36 g/mol
LogP4.84
Rot. Bonds4

About 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene

1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene (PubChem CID 138616015) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene
PubChem CID138616015
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene
SMILESC=C1CCCCC1C/C=C/c1ccc(OC)cc1
InChIInChI=1S/C17H22O/c1-14-6-3-4-8-16(14)9-5-7-15-10-12-17(18-2)13-11-15/h5,7,10-13,16H,1,3-4,6,8-9H2,2H3/b7-5+
InChIKeyBSRXHDNQTIEBNS-FNORWQNLSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 54.84
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

5-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-1,3-diazinane-2,4,6-trione
CID 70679340
1-methoxy-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 10800947
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-[(E)-3-iodoprop-1-enyl]-4-methoxybenzene
CID 135075727
1-cyclopropyl-5-(4-methoxyphenyl)pent-4-en-1-ol
CID 54479630
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
3-ethyl-2-[(4-methoxyphenyl)methylidene]cyclohexan-1-one
CID 68642942
1-(3-butoxyprop-1-enyl)-4-methoxybenzene
CID 72750834
1-bromo-4-[(E)-3-(4-methoxyphenyl)prop-1-enyl]benzene
CID 101485865
(E)-3-(4-methoxyphenyl)-N-methyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethyl)prop-2-en-1-amine
CID 118588145
2-[3-(4-azidophenyl)prop-2-enyl]cyclohexan-1-one
CID 175304662
methyl 2-[4-[(E)-3-(2-oxocyclopentyl)prop-1-enyl]phenyl]propanoate
CID 175116330

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene (CID 138616015) is 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene is C=C1CCCCC1C/C=C/c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene?
The InChIKey is BSRXHDNQTIEBNS-FNORWQNLSA-N. The full InChI is InChI=1S/C17H22O/c1-14-6-3-4-8-16(14)9-5-7-15-10-12-17(18-2)13-11-15/h5,7,10-13,16H,1,3-4,6,8-9H2,2H3/b7-5+.
What are the key properties of 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene?
1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene has a molecular weight of 242.36 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E)-3-(2-methylidenecyclohexyl)prop-1-enyl]benzene is sourced from PubChem (CID 138616015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).