2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol

C34H46O2 — CID 142283144

IUPAC2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol
SMILESCCCC1CCC(CCCCc2ccc3cc(-c4ccc(CC(CO)COC)cc4)ccc3c2)CC1
InChIInChI=1S/C34H46O2/c1-3-6-26-9-11-27(12-10-26)7-4-5-8-28-15-18-34-23-33(20-19-32(34)22-28)31-16-13-29(14-17-31)21-30(24-35)25-36-2/h13-20,22-23,26-27,30,35H,3-12,21,24-25H2,1-2H3
InChIKeyJYCHDCMEBSESJO-UHFFFAOYSA-N
MW486.74 g/mol
LogP8.62
Rot. Bonds13

About 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol

2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol (PubChem CID 142283144) has the molecular formula C34H46O2 and a molecular weight of 486.74 g/mol. Its IUPAC name is 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol.

Molecular Properties

Compound Name2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol
PubChem CID142283144
Molecular FormulaC34H46O2
Molecular Weight486.74 g/mol
Exact Mass486.35
IUPAC Name2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol
SMILESCCCC1CCC(CCCCc2ccc3cc(-c4ccc(CC(CO)COC)cc4)ccc3c2)CC1
InChIInChI=1S/C34H46O2/c1-3-6-26-9-11-27(12-10-26)7-4-5-8-28-15-18-34-23-33(20-19-32(34)22-28)31-16-13-29(14-17-31)21-30(24-35)25-36-2/h13-20,22-23,26-27,30,35H,3-12,21,24-25H2,1-2H3
InChIKeyJYCHDCMEBSESJO-UHFFFAOYSA-N
XLogP8.62
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.74
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxymethyl)-3-[6-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]naphthalen-2-yl]propan-1-ol;2-methylprop-2-enal
CID 142282721
2-(methoxymethyl)-5-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]pentan-1-ol
CID 142282850
2-methylprop-2-enal;(4-pentylcyclohexyl) 4-[4-[2-(hydroxymethyl)-3-methoxypropyl]phenyl]benzoate
CID 145412026
[2-[[4-[4-[2-(4-hexylcyclohexyl)ethyl]phenyl]phenyl]methyl]-3-hydroxypropyl] 2,3-dimethylbut-2-enoate
CID 134244421
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
2-[4-(7-cyclopentylheptoxy)phenyl]-6-octylquinoline
CID 19083556
2-[4-(4-but-3-enylcyclohexyl)phenyl]-6-pentylnaphthalene
CID 139860728
[4-methoxy-3-[6-[6-[2-(4-propylcyclohexyl)ethyl]naphthalen-2-yl]naphthalen-2-yl]butyl] 2-(hydroxymethyl)prop-2-enoate;2-methylprop-2-enal
CID 142281777
2-fluoro-4-[4-[4-(methoxymethyl)cyclohexyl]butyl]-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 54397674
[6-[4-[2-[6-(4-fluorobutyl)naphthalen-2-yl]ethyl]cyclohexyl]-2-(hydroxymethyl)hexyl] 2-methylprop-2-enoate;2-(hydroxymethyl)prop-2-enal
CID 145411953
2-[4-[2-[4-(4-heptylcyclohexyl)cyclohexyl]ethyl]phenoxy]-3-methoxypropan-1-ol
CID 142282233
2-fluoro-1-[3-fluoro-4-(4-propylcyclohexyl)phenyl]-4-[4-[4-(3-methoxypropyl)cyclohexyl]butyl]benzene
CID 23297316

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol?
The IUPAC name of 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol (CID 142283144) is 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol.
What is the SMILES notation for 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol?
The canonical SMILES for 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol is CCCC1CCC(CCCCc2ccc3cc(-c4ccc(CC(CO)COC)cc4)ccc3c2)CC1.
What is the InChIKey of 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol?
The InChIKey is JYCHDCMEBSESJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H46O2/c1-3-6-26-9-11-27(12-10-26)7-4-5-8-28-15-18-34-23-33(20-19-32(34)22-28)31-16-13-29(14-17-31)21-30(24-35)25-36-2/h13-20,22-23,26-27,30,35H,3-12,21,24-25H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol?
2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol has a molecular weight of 486.74 g/mol, XLogP of 8.62, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-3-[4-[6-[4-(4-propylcyclohexyl)butyl]naphthalen-2-yl]phenyl]propan-1-ol is sourced from PubChem (CID 142283144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).