(1-chloro-3-prop-2-enoxypropyl)benzene

C12H15ClO — CID 14388087

IUPAC(1-chloro-3-prop-2-enoxypropyl)benzene
SMILESC=CCOCCC(Cl)c1ccccc1
InChIInChI=1S/C12H15ClO/c1-2-9-14-10-8-12(13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyNKMYTWQTMGEVCI-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.56
Rot. Bonds6

About (1-chloro-3-prop-2-enoxypropyl)benzene

(1-chloro-3-prop-2-enoxypropyl)benzene (PubChem CID 14388087) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is (1-chloro-3-prop-2-enoxypropyl)benzene.

Molecular Properties

Compound Name(1-chloro-3-prop-2-enoxypropyl)benzene
PubChem CID14388087
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name(1-chloro-3-prop-2-enoxypropyl)benzene
SMILESC=CCOCCC(Cl)c1ccccc1
InChIInChI=1S/C12H15ClO/c1-2-9-14-10-8-12(13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2
InChIKeyNKMYTWQTMGEVCI-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
(1-chloro-5-ethoxypentyl)benzene
CID 64506670
disodium;1,1'-biphenyl;hydride;3-prop-2-enoxyprop-1-ene
CID 173405020
2-phenyl-2-(4-prop-2-enoxybutanoylamino)acetic acid
CID 119197383
(1-phenyl-2-prop-2-enoxyethyl)selanylbenzene
CID 10710562
phenyl-bis(2-prop-2-enoxyethoxy)phosphane
CID 69339497
[(1S)-1-fluoropent-4-enyl]benzene
CID 69121356
(R)-phenyl(prop-2-enoxy)methanol
CID 97012117
[(E)-1,8-dichloro-8-phenyloct-4-enyl]benzene;sulfanylideneborinothioic acid
CID 91417600
[(1R)-1-chloroprop-2-enyl]benzene
CID 94848346
1-chloroprop-2-enylbenzene
CID 11768772
22-chloro-22-phenyldocosane-1,1-diol
CID 139822456

Frequently Asked Questions

What is the IUPAC name of (1-chloro-3-prop-2-enoxypropyl)benzene?
The IUPAC name of (1-chloro-3-prop-2-enoxypropyl)benzene (CID 14388087) is (1-chloro-3-prop-2-enoxypropyl)benzene.
What is the SMILES notation for (1-chloro-3-prop-2-enoxypropyl)benzene?
The canonical SMILES for (1-chloro-3-prop-2-enoxypropyl)benzene is C=CCOCCC(Cl)c1ccccc1.
What is the InChIKey of (1-chloro-3-prop-2-enoxypropyl)benzene?
The InChIKey is NKMYTWQTMGEVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-2-9-14-10-8-12(13)11-6-4-3-5-7-11/h2-7,12H,1,8-10H2.
What are the key properties of (1-chloro-3-prop-2-enoxypropyl)benzene?
(1-chloro-3-prop-2-enoxypropyl)benzene has a molecular weight of 210.70 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-prop-2-enoxypropyl)benzene is sourced from PubChem (CID 14388087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).