2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol

C19H30O2 — CID 63466664

IUPAC2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)COC2CCCCCC2)cc1
InChIInChI=1S/C19H30O2/c1-15(2)13-16-9-11-17(12-10-16)19(20)14-21-18-7-5-3-4-6-8-18/h9-12,15,18-20H,3-8,13-14H2,1-2H3
InChIKeySJNOLLLMUBQZPN-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.66
Rot. Bonds6

About 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol

2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol (PubChem CID 63466664) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol.

Molecular Properties

Compound Name2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
PubChem CID63466664
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol
SMILESCC(C)Cc1ccc(C(O)COC2CCCCCC2)cc1
InChIInChI=1S/C19H30O2/c1-15(2)13-16-9-11-17(12-10-16)19(20)14-21-18-7-5-3-4-6-8-18/h9-12,15,18-20H,3-8,13-14H2,1-2H3
InChIKeySJNOLLLMUBQZPN-UHFFFAOYSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopentyl-1-[4-(2-methylpropyl)phenyl]propan-1-ol
CID 63427885
2-[[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]amino]cyclohexan-1-ol
CID 62358372
cyclobutyl-[4-(2-methylpropyl)phenyl]methanol
CID 61099131
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 115561346
1-[4-(2-methylpropyl)phenyl]-2-(oxan-4-ylmethoxy)ethanol
CID 62383936
2-(3-methylpiperidin-1-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60981654
1-cyclododecyloxypropan-2-ol
CID 54403914
1-[4-(2-methylpropyl)phenyl]-2-(propan-2-ylamino)ethanol
CID 60903668
2-[methyl(3-methylbutan-2-yl)amino]-1-[4-(2-methylpropyl)phenyl]ethanol
CID 60969435
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685555
[4-(2-methylpropyl)phenyl]-piperidin-4-ylmethanol
CID 43146481
[2-chloro-2-[4-(2-methylpropyl)phenyl]ethyl]cycloheptane
CID 114458629

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol?
The IUPAC name of 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol (CID 63466664) is 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol.
What is the SMILES notation for 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol?
The canonical SMILES for 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol is CC(C)Cc1ccc(C(O)COC2CCCCCC2)cc1.
What is the InChIKey of 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol?
The InChIKey is SJNOLLLMUBQZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-15(2)13-16-9-11-17(12-10-16)19(20)14-21-18-7-5-3-4-6-8-18/h9-12,15,18-20H,3-8,13-14H2,1-2H3.
What are the key properties of 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol?
2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-1-[4-(2-methylpropyl)phenyl]ethanol is sourced from PubChem (CID 63466664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).