1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene

C22H23ClO — CID 177031993

IUPAC1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene
SMILESCCCc1cccc2c(-c3cc(CC)c(Cl)cc3OC)cccc12
InChIInChI=1S/C22H23ClO/c1-4-8-16-9-6-11-18-17(16)10-7-12-19(18)20-13-15(5-2)21(23)14-22(20)24-3/h6-7,9-14H,4-5,8H2,1-3H3
InChIKeyYCYTZWKTYSQBTI-UHFFFAOYSA-N
MW338.88 g/mol
LogP6.68
Rot. Bonds5

About 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene

1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene (PubChem CID 177031993) has the molecular formula C22H23ClO and a molecular weight of 338.88 g/mol. Its IUPAC name is 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene.

Molecular Properties

Compound Name1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene
PubChem CID177031993
Molecular FormulaC22H23ClO
Molecular Weight338.88 g/mol
Exact Mass338.14
IUPAC Name1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene
SMILESCCCc1cccc2c(-c3cc(CC)c(Cl)cc3OC)cccc12
InChIInChI=1S/C22H23ClO/c1-4-8-16-9-6-11-18-17(16)10-7-12-19(18)20-13-15(5-2)21(23)14-22(20)24-3/h6-7,9-14H,4-5,8H2,1-3H3
InChIKeyYCYTZWKTYSQBTI-UHFFFAOYSA-N
XLogP6.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.88
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-cyclopropyl-6-methoxyphenyl)-5-propylnaphthalene
CID 177032909
(2-methoxy-6-propylphenyl) acetate
CID 170893292
1-chloro-2-ethoxy-3-propylbenzene
CID 143260119
1-chloro-4-ethyl-2,5-dimethoxybenzene
CID 71132798
1-[2-[3,5-dimethoxy-4-(5-propylnaphthalen-1-yl)phenyl]ethyl]-4-(fluoromethyl)-4-methylpiperidine
CID 177032141
2-ethyl-4-propylnaphthalen-1-ol
CID 19868304
8-methoxy-4-propylchromen-2-one
CID 42602895
1-(4-chloro-2-methoxyphenyl)-5-(2-methoxyphenyl)naphthalene
CID 118027696
1-fluoro-5-propylnaphthalene
CID 143275008
1,4-diethyl-2-methoxynaphthalene
CID 135177818
ethane;2-methoxy-6-propylphenol
CID 142869062
1-methoxy-8-propylnaphthalene
CID 22401887

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene?
The IUPAC name of 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene (CID 177031993) is 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene.
What is the SMILES notation for 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene?
The canonical SMILES for 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene is CCCc1cccc2c(-c3cc(CC)c(Cl)cc3OC)cccc12.
What is the InChIKey of 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene?
The InChIKey is YCYTZWKTYSQBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClO/c1-4-8-16-9-6-11-18-17(16)10-7-12-19(18)20-13-15(5-2)21(23)14-22(20)24-3/h6-7,9-14H,4-5,8H2,1-3H3.
What are the key properties of 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene?
1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene has a molecular weight of 338.88 g/mol, XLogP of 6.68, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-5-ethyl-2-methoxyphenyl)-5-propylnaphthalene is sourced from PubChem (CID 177031993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).