2-(2-butyl-4-cycloheptylphenoxy)ethanol

C19H30O2 — CID 22374418

IUPAC2-(2-butyl-4-cycloheptylphenoxy)ethanol
SMILESCCCCc1cc(C2CCCCCC2)ccc1OCCO
InChIInChI=1S/C19H30O2/c1-2-3-8-18-15-17(11-12-19(18)21-14-13-20)16-9-6-4-5-7-10-16/h11-12,15-16,20H,2-10,13-14H2,1H3
InChIKeyFMOKLEVQVRDXKB-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.84
Rot. Bonds7

About 2-(2-butyl-4-cycloheptylphenoxy)ethanol

2-(2-butyl-4-cycloheptylphenoxy)ethanol (PubChem CID 22374418) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-butyl-4-cycloheptylphenoxy)ethanol.

Molecular Properties

Compound Name2-(2-butyl-4-cycloheptylphenoxy)ethanol
PubChem CID22374418
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-(2-butyl-4-cycloheptylphenoxy)ethanol
SMILESCCCCc1cc(C2CCCCCC2)ccc1OCCO
InChIInChI=1S/C19H30O2/c1-2-3-8-18-15-17(11-12-19(18)21-14-13-20)16-9-6-4-5-7-10-16/h11-12,15-16,20H,2-10,13-14H2,1H3
InChIKeyFMOKLEVQVRDXKB-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-cyclohexyl-2-ethylphenyl)-2-[3-(2-methylprop-2-enoxy)propyl]phenoxy]ethanol
CID 134198038
2-(4-amino-2-butylphenoxy)ethanol
CID 142157339
2-[2-butyl-4-[1-[3-butyl-4-(2-hydroxyethoxy)phenyl]cyclopentyl]phenoxy]ethanol
CID 21257865
3-[2-(2-hydroxyethoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193424
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134200643
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
CID 173349723
4-cyclohexyl-2-fluoro-1-pentylbenzene
CID 59931429
2-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-(2-hydroxyethoxy)phenyl]ethyl 2-methylprop-2-enoate
CID 134193415
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186

Frequently Asked Questions

What is the IUPAC name of 2-(2-butyl-4-cycloheptylphenoxy)ethanol?
The IUPAC name of 2-(2-butyl-4-cycloheptylphenoxy)ethanol (CID 22374418) is 2-(2-butyl-4-cycloheptylphenoxy)ethanol.
What is the SMILES notation for 2-(2-butyl-4-cycloheptylphenoxy)ethanol?
The canonical SMILES for 2-(2-butyl-4-cycloheptylphenoxy)ethanol is CCCCc1cc(C2CCCCCC2)ccc1OCCO.
What is the InChIKey of 2-(2-butyl-4-cycloheptylphenoxy)ethanol?
The InChIKey is FMOKLEVQVRDXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O2/c1-2-3-8-18-15-17(11-12-19(18)21-14-13-20)16-9-6-4-5-7-10-16/h11-12,15-16,20H,2-10,13-14H2,1H3.
What are the key properties of 2-(2-butyl-4-cycloheptylphenoxy)ethanol?
2-(2-butyl-4-cycloheptylphenoxy)ethanol has a molecular weight of 290.45 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butyl-4-cycloheptylphenoxy)ethanol is sourced from PubChem (CID 22374418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).