2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene

C20H19ClO2 — CID 91325108

IUPAC2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene
SMILESCOc1ccc(Oc2ccc3cc(C(C)C)ccc3c2)c(Cl)c1
InChIInChI=1S/C20H19ClO2/c1-13(2)14-4-5-16-11-18(7-6-15(16)10-14)23-20-9-8-17(22-3)12-19(20)21/h4-13H,1-3H3
InChIKeyKGKBZILKHDYKDK-UHFFFAOYSA-N
MW326.82 g/mol
LogP6.42
Rot. Bonds4

About 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene

2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene (PubChem CID 91325108) has the molecular formula C20H19ClO2 and a molecular weight of 326.82 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene
PubChem CID91325108
Molecular FormulaC20H19ClO2
Molecular Weight326.82 g/mol
Exact Mass326.11
IUPAC Name2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene
SMILESCOc1ccc(Oc2ccc3cc(C(C)C)ccc3c2)c(Cl)c1
InChIInChI=1S/C20H19ClO2/c1-13(2)14-4-5-16-11-18(7-6-15(16)10-14)23-20-9-8-17(22-3)12-19(20)21/h4-13H,1-3H3
InChIKeyKGKBZILKHDYKDK-UHFFFAOYSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.82
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]pyridine
CID 91366744
2-[3-chloro-4-(6-propan-2-ylnaphthalen-2-yl)oxyphenoxy]-1,3-thiazole
CID 91458393
1-(3-chloro-4-naphthalen-2-yloxyphenyl)ethanamine
CID 63532726
1,3-bis(2-chloro-4-propan-2-ylphenoxy)-5-propan-2-ylbenzene
CID 59573981
3-chloro-4-(4-propan-2-ylphenoxy)aniline
CID 26189720
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
4-(bromomethyl)-2-chloro-1-(4-propan-2-ylphenoxy)benzene
CID 107086695
1-[3-chloro-4-(4-propan-2-ylphenoxy)phenyl]ethanone
CID 63533562
4-bromo-2-chloro-1-(3-propan-2-ylphenoxy)benzene
CID 162362054
(1R)-1-[3-chloro-4-(3-chloro-4-fluorophenoxy)phenyl]ethanol
CID 78952850
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene?
The IUPAC name of 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene (CID 91325108) is 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene?
The canonical SMILES for 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene is COc1ccc(Oc2ccc3cc(C(C)C)ccc3c2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene?
The InChIKey is KGKBZILKHDYKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClO2/c1-13(2)14-4-5-16-11-18(7-6-15(16)10-14)23-20-9-8-17(22-3)12-19(20)21/h4-13H,1-3H3.
What are the key properties of 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene?
2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene has a molecular weight of 326.82 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenoxy)-6-propan-2-ylnaphthalene is sourced from PubChem (CID 91325108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).