1-methoxy-2-(2-methylidenebut-3-enyl)benzene

C12H14O — CID 13111835

IUPAC1-methoxy-2-(2-methylidenebut-3-enyl)benzene
SMILESC=CC(=C)Cc1ccccc1OC
InChIInChI=1S/C12H14O/c1-4-10(2)9-11-7-5-6-8-12(11)13-3/h4-8H,1-2,9H2,3H3
InChIKeyAYIQYNUHNDMSGS-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.98
Rot. Bonds4

About 1-methoxy-2-(2-methylidenebut-3-enyl)benzene

1-methoxy-2-(2-methylidenebut-3-enyl)benzene (PubChem CID 13111835) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-methoxy-2-(2-methylidenebut-3-enyl)benzene.

Molecular Properties

Compound Name1-methoxy-2-(2-methylidenebut-3-enyl)benzene
PubChem CID13111835
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-methoxy-2-(2-methylidenebut-3-enyl)benzene
SMILESC=CC(=C)Cc1ccccc1OC
InChIInChI=1S/C12H14O/c1-4-10(2)9-11-7-5-6-8-12(11)13-3/h4-8H,1-2,9H2,3H3
InChIKeyAYIQYNUHNDMSGS-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.98
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

1-(2-chloroprop-2-enyl)-2-methoxybenzene
CID 24721826
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
N-[(2-methoxyphenyl)methyl]prop-2-en-1-amine
CID 4722320
(2-(111C)methoxyphenyl)methanol
CID 59897789
2-(2-methoxyphenyl)ethanethioic S-acid
CID 122420844
1-butyl-2-(2-methylidenebut-3-enyl)benzene
CID 140596675
5-(2-methoxyphenyl)-3-methylpent-1-en-3-ol
CID 10104442
N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 562770
(NZ)-N-[1-(2-methoxyphenyl)propan-2-ylidene]hydroxylamine
CID 5368511
2-[2-(2-methoxyphenyl)ethyl]phenol
CID 10775715
(Z)-4-(2-methoxyphenyl)-3-methylbut-2-enoic acid
CID 97301486
(E)-4-(2-methoxyphenyl)but-2-en-1-ol
CID 15500390

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(2-methylidenebut-3-enyl)benzene?
The IUPAC name of 1-methoxy-2-(2-methylidenebut-3-enyl)benzene (CID 13111835) is 1-methoxy-2-(2-methylidenebut-3-enyl)benzene.
What is the SMILES notation for 1-methoxy-2-(2-methylidenebut-3-enyl)benzene?
The canonical SMILES for 1-methoxy-2-(2-methylidenebut-3-enyl)benzene is C=CC(=C)Cc1ccccc1OC.
What is the InChIKey of 1-methoxy-2-(2-methylidenebut-3-enyl)benzene?
The InChIKey is AYIQYNUHNDMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-4-10(2)9-11-7-5-6-8-12(11)13-3/h4-8H,1-2,9H2,3H3.
What are the key properties of 1-methoxy-2-(2-methylidenebut-3-enyl)benzene?
1-methoxy-2-(2-methylidenebut-3-enyl)benzene has a molecular weight of 174.24 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(2-methylidenebut-3-enyl)benzene is sourced from PubChem (CID 13111835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).