1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene

C17H19ClO — CID 91551741

IUPAC1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
SMILESCC(C)Oc1cccc(CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO/c1-13(2)19-17-5-3-4-15(12-17)7-6-14-8-10-16(18)11-9-14/h3-5,8-13H,6-7H2,1-2H3
InChIKeyKEXZKECIWSRGPI-UHFFFAOYSA-N
MW274.79 g/mol
LogP4.91
Rot. Bonds5

About 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene

1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene (PubChem CID 91551741) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
PubChem CID91551741
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene
SMILESCC(C)Oc1cccc(CCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H19ClO/c1-13(2)19-17-5-3-4-15(12-17)7-6-14-8-10-16(18)11-9-14/h3-5,8-13H,6-7H2,1-2H3
InChIKeyKEXZKECIWSRGPI-UHFFFAOYSA-N
XLogP4.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromoethyl)-3-propan-2-yloxybenzene
CID 64867927
1-hexyl-3-propan-2-yloxybenzene
CID 159994008
1-[3-(4-chlorophenyl)propyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100673188
2-(3-propan-2-yloxyphenyl)acetyl chloride
CID 18333440
1-chloro-3-propan-2-yloxybenzene;hydrazine
CID 174829987
1-[bromo-(4-chlorophenyl)methyl]-3-propan-2-yloxybenzene
CID 63436948
(4-chlorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 62920659
5-chloro-2-methoxy-N-[3-(3-propan-2-yloxyphenyl)propyl]benzamide
CID 100529695
4-[3-[(4-chlorophenyl)methoxy]phenyl]-N-methylbutan-2-amine
CID 82184802
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
2-(4-chlorophenyl)-N-[(3-propan-2-yloxyphenyl)carbamothioyl]acetamide
CID 17154881

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene?
The IUPAC name of 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene (CID 91551741) is 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene?
The canonical SMILES for 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene is CC(C)Oc1cccc(CCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene?
The InChIKey is KEXZKECIWSRGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-13(2)19-17-5-3-4-15(12-17)7-6-14-8-10-16(18)11-9-14/h3-5,8-13H,6-7H2,1-2H3.
What are the key properties of 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene?
1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene has a molecular weight of 274.79 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[2-(3-propan-2-yloxyphenyl)ethyl]benzene is sourced from PubChem (CID 91551741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).