1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene

C16H14ClFO — CID 122657114

IUPAC1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
SMILESC=CCc1c(F)ccc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H14ClFO/c1-2-6-13-15(18)10-9-14(17)16(13)19-11-12-7-4-3-5-8-12/h2-5,7-10H,1,6,11H2
InChIKeyUYNXLUCUKJRJAE-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.79
Rot. Bonds5

About 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene

1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene (PubChem CID 122657114) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
PubChem CID122657114
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
SMILESC=CCc1c(F)ccc(Cl)c1OCc1ccccc1
InChIInChI=1S/C16H14ClFO/c1-2-6-13-15(18)10-9-14(17)16(13)19-11-12-7-4-3-5-8-12/h2-5,7-10H,1,6,11H2
InChIKeyUYNXLUCUKJRJAE-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
CID 68584270
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
4-chloro-2-fluoro-3-phenylmethoxybenzoic acid
CID 164891597
4-chloro-3-fluoro-2-phenylmethoxybenzaldehyde
CID 163198266
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
1-methoxy-2-phenylmethoxy-4-(prop-2-enoxymethyl)-3-prop-2-enylbenzene
CID 23247258

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene?
The IUPAC name of 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene (CID 122657114) is 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene.
What is the SMILES notation for 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene?
The canonical SMILES for 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene is C=CCc1c(F)ccc(Cl)c1OCc1ccccc1.
What is the InChIKey of 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene?
The InChIKey is UYNXLUCUKJRJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c1-2-6-13-15(18)10-9-14(17)16(13)19-11-12-7-4-3-5-8-12/h2-5,7-10H,1,6,11H2.
What are the key properties of 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene?
1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene has a molecular weight of 276.74 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 122657114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).