1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene

C12H16O — CID 12531508

IUPAC1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
SMILESC/C=C(/CC)c1ccccc1OC
InChIInChI=1S/C12H16O/c1-4-10(5-2)11-8-6-7-9-12(11)13-3/h4,6-9H,5H2,1-3H3/b10-4-
InChIKeyBCBJKDKFFXWLRP-WMZJFQQLSA-N
MW176.26 g/mol
LogP3.51
Rot. Bonds3

About 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene

1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene (PubChem CID 12531508) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene.

Molecular Properties

Compound Name1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
PubChem CID12531508
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene
SMILESC/C=C(/CC)c1ccccc1OC
InChIInChI=1S/C12H16O/c1-4-10(5-2)11-8-6-7-9-12(11)13-3/h4,6-9H,5H2,1-3H3/b10-4-
InChIKeyBCBJKDKFFXWLRP-WMZJFQQLSA-N
XLogP3.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene?
The IUPAC name of 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene (CID 12531508) is 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene.
What is the SMILES notation for 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene?
The canonical SMILES for 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene is C/C=C(/CC)c1ccccc1OC.
What is the InChIKey of 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene?
The InChIKey is BCBJKDKFFXWLRP-WMZJFQQLSA-N. The full InChI is InChI=1S/C12H16O/c1-4-10(5-2)11-8-6-7-9-12(11)13-3/h4,6-9H,5H2,1-3H3/b10-4-.
What are the key properties of 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene?
1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene has a molecular weight of 176.26 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-[(Z)-pent-2-en-3-yl]benzene is sourced from PubChem (CID 12531508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).