4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene

C11H11ClF2O2 — CID 79334494

IUPAC4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
SMILESCOc1ccc(C=CCCl)cc1OC(F)F
InChIInChI=1S/C11H11ClF2O2/c1-15-9-5-4-8(3-2-6-12)7-10(9)16-11(13)14/h2-5,7,11H,6H2,1H3
InChIKeyPPBDIQBIRUYWQY-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.55
Rot. Bonds5

About 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene

4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene (PubChem CID 79334494) has the molecular formula C11H11ClF2O2 and a molecular weight of 248.66 g/mol. Its IUPAC name is 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene.

Molecular Properties

Compound Name4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
PubChem CID79334494
Molecular FormulaC11H11ClF2O2
Molecular Weight248.66 g/mol
Exact Mass248.04
IUPAC Name4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene
SMILESCOc1ccc(C=CCCl)cc1OC(F)F
InChIInChI=1S/C11H11ClF2O2/c1-15-9-5-4-8(3-2-6-12)7-10(9)16-11(13)14/h2-5,7,11H,6H2,1H3
InChIKeyPPBDIQBIRUYWQY-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[3-(difluoromethoxy)-4-methoxyphenyl]but-3-en-1-amine
CID 63970735
N-[3-[3-(difluoromethoxy)-4-methoxyphenyl]prop-2-enyl]cyclopropanamine
CID 79346738
4-[4-(difluoromethoxy)-3-methoxyphenyl]but-3-en-1-amine
CID 76996810
4-(3-chloroprop-1-enyl)-1-methoxy-2-propoxybenzene
CID 79323774
5-(3-chloroprop-1-enyl)-2-methoxyphenol
CID 169477190
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]hydroxylamine
CID 76872352
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylprop-2-enoic acid
CID 79727135
(Z)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoic acid
CID 2341134
2-[[3-(difluoromethoxy)-4-methoxyphenyl]methylidene]butan-1-amine
CID 79322998
3-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methyl-N-(2-methylpropyl)prop-2-en-1-amine
CID 79344074
3-[4-(difluoromethoxy)-3-methoxyphenyl]-2-methylprop-2-en-1-amine
CID 79330049
4-[(E)-3-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]disulfanyl]prop-1-enyl]-1,2-dimethoxybenzene
CID 122188364

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene?
The IUPAC name of 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene (CID 79334494) is 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene.
What is the SMILES notation for 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene?
The canonical SMILES for 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene is COc1ccc(C=CCCl)cc1OC(F)F.
What is the InChIKey of 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene?
The InChIKey is PPBDIQBIRUYWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O2/c1-15-9-5-4-8(3-2-6-12)7-10(9)16-11(13)14/h2-5,7,11H,6H2,1H3.
What are the key properties of 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene?
4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene has a molecular weight of 248.66 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloroprop-1-enyl)-2-(difluoromethoxy)-1-methoxybenzene is sourced from PubChem (CID 79334494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).