1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene

C14H18O — CID 143526233

IUPAC1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
SMILESC/C=C\C(=C/C)Cc1cccc(OC)c1
InChIInChI=1S/C14H18O/c1-4-7-12(5-2)10-13-8-6-9-14(11-13)15-3/h4-9,11H,10H2,1-3H3/b7-4-,12-5+
InChIKeyMKQYVYBKIAFNAY-FKBQNAHWSA-N
MW202.30 g/mol
LogP3.76
Rot. Bonds4

About 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene

1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene (PubChem CID 143526233) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene.

Molecular Properties

Compound Name1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
PubChem CID143526233
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
SMILESC/C=C\C(=C/C)Cc1cccc(OC)c1
InChIInChI=1S/C14H18O/c1-4-7-12(5-2)10-13-8-6-9-14(11-13)15-3/h4-9,11H,10H2,1-3H3/b7-4-,12-5+
InChIKeyMKQYVYBKIAFNAY-FKBQNAHWSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
CID 143526232
(3-methoxyphenyl)methyl but-2-enoate
CID 75850831
(3-methoxyphenyl)(113C)methanol
CID 11593446
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
1,1,1-trifluoro-3-(3-methoxyphenyl)propan-2-one
CID 24726859
2-[3-(3-methoxyphenoxy)phenyl]acetic acid
CID 19421788
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
(3-methoxyphenyl)methanethiol
CID 10749403

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
The IUPAC name of 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene (CID 143526233) is 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene.
What is the SMILES notation for 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
The canonical SMILES for 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene is C/C=C\C(=C/C)Cc1cccc(OC)c1.
What is the InChIKey of 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
The InChIKey is MKQYVYBKIAFNAY-FKBQNAHWSA-N. The full InChI is InChI=1S/C14H18O/c1-4-7-12(5-2)10-13-8-6-9-14(11-13)15-3/h4-9,11H,10H2,1-3H3/b7-4-,12-5+.
What are the key properties of 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene has a molecular weight of 202.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene is sourced from PubChem (CID 143526233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).