2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene

C22H30O — CID 139877588

IUPAC2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
SMILESCCCC1CCC(CCc2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C22H30O/c1-3-4-17-5-7-18(8-6-17)9-10-19-11-12-21-16-22(23-2)14-13-20(21)15-19/h11-18H,3-10H2,1-2H3
InChIKeyKZSGDXRDFULQJG-UHFFFAOYSA-N
MW310.48 g/mol
LogP6.39
Rot. Bonds6

About 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene

2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene (PubChem CID 139877588) has the molecular formula C22H30O and a molecular weight of 310.48 g/mol. Its IUPAC name is 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
PubChem CID139877588
Molecular FormulaC22H30O
Molecular Weight310.48 g/mol
Exact Mass310.23
IUPAC Name2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
SMILESCCCC1CCC(CCc2ccc3cc(OC)ccc3c2)CC1
InChIInChI=1S/C22H30O/c1-3-4-17-5-7-18(8-6-17)9-10-19-11-12-21-16-22(23-2)14-13-20(21)15-19/h11-18H,3-10H2,1-2H3
InChIKeyKZSGDXRDFULQJG-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methoxy-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860632
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
2-[(E)-pent-3-enyl]-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861118
1-propoxy-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 15641416
2-but-2-enoxy-6-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]naphthalene
CID 139862836
2-ethoxy-1-fluoro-6-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139861552
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
CID 116924817
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
CID 127043453
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139871845

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene?
The IUPAC name of 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene (CID 139877588) is 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene.
What is the SMILES notation for 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene?
The canonical SMILES for 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene is CCCC1CCC(CCc2ccc3cc(OC)ccc3c2)CC1.
What is the InChIKey of 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene?
The InChIKey is KZSGDXRDFULQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O/c1-3-4-17-5-7-18(8-6-17)9-10-19-11-12-21-16-22(23-2)14-13-20(21)15-19/h11-18H,3-10H2,1-2H3.
What are the key properties of 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene?
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene has a molecular weight of 310.48 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene is sourced from PubChem (CID 139877588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).