4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane

C12H17ClO — CID 143014444

IUPAC4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
SMILESC=C(C)c1cc(Cl)ccc1OC.CC
InChIInChI=1S/C10H11ClO.C2H6/c1-7(2)9-6-8(11)4-5-10(9)12-3;1-2/h4-6H,1H2,2-3H3;1-2H3
InChIKeyALAHAPLRDQRSGB-UHFFFAOYSA-N
MW212.72 g/mol
LogP4.41
Rot. Bonds2

About 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane

4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane (PubChem CID 143014444) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane.

Molecular Properties

Compound Name4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
PubChem CID143014444
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
SMILESC=C(C)c1cc(Cl)ccc1OC.CC
InChIInChI=1S/C10H11ClO.C2H6/c1-7(2)9-6-8(11)4-5-10(9)12-3;1-2/h4-6H,1H2,2-3H3;1-2H3
InChIKeyALAHAPLRDQRSGB-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-3-methylbut-2-enenitrile
CID 82080163
5-chloro-2-methoxybenzoate
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4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
CID 3015769
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
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2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
CID 8825931
3-bromo-1-(5-chloro-2-methoxyphenyl)propane-1,2-dione
CID 82134939
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
1-(4-chloro-2-methoxyphenyl)-2-methylprop-2-en-1-one
CID 115780949
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane?
The IUPAC name of 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane (CID 143014444) is 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane.
What is the SMILES notation for 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane?
The canonical SMILES for 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane is C=C(C)c1cc(Cl)ccc1OC.CC.
What is the InChIKey of 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane?
The InChIKey is ALAHAPLRDQRSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.C2H6/c1-7(2)9-6-8(11)4-5-10(9)12-3;1-2/h4-6H,1H2,2-3H3;1-2H3.
What are the key properties of 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane?
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane has a molecular weight of 212.72 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane is sourced from PubChem (CID 143014444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).