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

C10H11ClO — CID 173339850

IUPAC1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cccc(Cl)c1OC
InChIInChI=1S/C10H11ClO/c1-3-5-8-6-4-7-9(11)10(8)12-2/h3-7H,1-2H3/b5-3+
InChIKeyPKSBNPHMMGPNRH-HWKANZROSA-N
MW182.65 g/mol
LogP3.38
Rot. Bonds2

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

1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene (PubChem CID 173339850) has the molecular formula C10H11ClO and a molecular weight of 182.65 g/mol. Its IUPAC name is 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene
PubChem CID173339850
Molecular FormulaC10H11ClO
Molecular Weight182.65 g/mol
Exact Mass182.05
IUPAC Name1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene
SMILESC/C=C/c1cccc(Cl)c1OC
InChIInChI=1S/C10H11ClO/c1-3-5-8-6-4-7-9(11)10(8)12-2/h3-7H,1-2H3/b5-3+
InChIKeyPKSBNPHMMGPNRH-HWKANZROSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chlorophenoxy)-2-methoxy-3-[(Z)-prop-1-enyl]benzene
CID 70519497
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
1-chloro-2-[(E)-prop-1-enyl]benzene;ethane
CID 144702462
1-(3-azidoprop-1-enyl)-3-chloro-2-methoxybenzene
CID 151588086
3-chloro-2-methoxybenzonitrile
CID 82652815
1,2,3-trimethoxy-4-[(Z)-prop-1-enyl]benzene
CID 20839497
tert-butyl N-[3-(3-chloro-2-methoxyphenyl)prop-2-enyl]carbamate
CID 169468698
1,3-dichloro-2-[2-phenylmethoxy-3-[(Z)-prop-1-enyl]phenyl]benzene
CID 69256865
N-[(3-chloro-2-methoxyphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337639
2-chloro-1-methyl-3-prop-1-enylbenzene
CID 123915318
3-chloro-2-methoxyaniline;hydrochloride
CID 17233805
1-chloro-3-[(E)-2-methoxyethenyl]-2-methylbenzene
CID 167713006

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene?
The IUPAC name of 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene (CID 173339850) is 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene is C/C=C/c1cccc(Cl)c1OC.
What is the InChIKey of 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene?
The InChIKey is PKSBNPHMMGPNRH-HWKANZROSA-N. The full InChI is InChI=1S/C10H11ClO/c1-3-5-8-6-4-7-9(11)10(8)12-2/h3-7H,1-2H3/b5-3+.
What are the key properties of 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene?
1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene has a molecular weight of 182.65 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-methoxy-3-[(E)-prop-1-enyl]benzene is sourced from PubChem (CID 173339850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).