1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene

C17H19ClO — CID 64508912

IUPAC1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCC(Cl)c1ccccc1
InChIInChI=1S/C17H19ClO/c1-2-19-17-11-7-6-10-15(17)12-13-16(18)14-8-4-3-5-9-14/h3-11,16H,2,12-13H2,1H3
InChIKeyGWLPNYVXEIPCEX-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.00
Rot. Bonds6

About 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene

1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene (PubChem CID 64508912) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene.

Molecular Properties

Compound Name1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
PubChem CID64508912
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene
SMILESCCOc1ccccc1CCC(Cl)c1ccccc1
InChIInChI=1S/C17H19ClO/c1-2-19-17-11-7-6-10-15(17)12-13-16(18)14-8-4-3-5-9-14/h3-11,16H,2,12-13H2,1H3
InChIKeyGWLPNYVXEIPCEX-UHFFFAOYSA-N
XLogP5.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorobutyl)-2-ethoxybenzene
CID 64514219
1-ethoxy-2-[2-[2-(2-ethoxyphenyl)ethoxy]ethyl]benzene
CID 141096945
4-(2-ethoxyphenyl)-N-ethylbutan-2-amine
CID 64504944
1-decyl-2-ethoxybenzene
CID 175243335
1-(3-bromopropyl)-2-ethoxybenzene
CID 18786539
3-[2-[2-(2-ethoxyphenyl)ethyl]phenoxy]-N,N-dimethylpropan-1-amine
CID 20545015
N-[(2-ethoxyphenyl)methyl]-3-phenylbutan-1-amine
CID 62403359
4-bromo-2-(3-chloro-3-phenylpropyl)-1-methoxybenzene
CID 63460540
(1-chloro-5-ethoxypentyl)benzene
CID 64506670
3-(2-ethoxyphenyl)propanenitrile
CID 53434291
1-(2-azidoethyl)-2-ethoxybenzene
CID 150018068
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene?
The IUPAC name of 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene (CID 64508912) is 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene.
What is the SMILES notation for 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene?
The canonical SMILES for 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene is CCOc1ccccc1CCC(Cl)c1ccccc1.
What is the InChIKey of 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene?
The InChIKey is GWLPNYVXEIPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-2-19-17-11-7-6-10-15(17)12-13-16(18)14-8-4-3-5-9-14/h3-11,16H,2,12-13H2,1H3.
What are the key properties of 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene?
1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene has a molecular weight of 274.79 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-3-phenylpropyl)-2-ethoxybenzene is sourced from PubChem (CID 64508912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).