1-(4-ethoxyphenyl)-2-ethylhexan-1-ol

C16H26O2 — CID 61099537

IUPAC1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1ccc(OCC)cc1
InChIInChI=1S/C16H26O2/c1-4-7-8-13(5-2)16(17)14-9-11-15(12-10-14)18-6-3/h9-13,16-17H,4-8H2,1-3H3
InChIKeyFALJXCIOSFEPLB-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.34
Rot. Bonds8

About 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol

1-(4-ethoxyphenyl)-2-ethylhexan-1-ol (PubChem CID 61099537) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
PubChem CID61099537
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
SMILESCCCCC(CC)C(O)c1ccc(OCC)cc1
InChIInChI=1S/C16H26O2/c1-4-7-8-13(5-2)16(17)14-9-11-15(12-10-14)18-6-3/h9-13,16-17H,4-8H2,1-3H3
InChIKeyFALJXCIOSFEPLB-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butoxyphenyl)-2-methylbutan-1-ol
CID 105116550
1-(4-ethoxyphenyl)-2,2-difluoroethanol
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(1S)-1-(4-ethoxyphenyl)pentan-1-amine;hydrochloride
CID 171220237
1-(4-ethoxyphenyl)-N-methylpentan-1-amine
CID 43481859
1-(3-ethoxyphenyl)pentan-1-ol
CID 22486926
2-ethyl-1-(furan-3-yl)hexan-1-ol
CID 115797249
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-(4-ethoxyphenyl)-N,2-diethylbutan-1-amine
CID 43489470
1-(3-ethoxyphenyl)-N,2-diethylhexan-1-amine
CID 105022228
amino-(4-ethoxyphenyl)methanol
CID 116939610
2-amino-N-[1-(4-ethoxyphenyl)ethyl]hexanamide
CID 60854414

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol?
The IUPAC name of 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol (CID 61099537) is 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol.
What is the SMILES notation for 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol?
The canonical SMILES for 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol is CCCCC(CC)C(O)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol?
The InChIKey is FALJXCIOSFEPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-7-8-13(5-2)16(17)14-9-11-15(12-10-14)18-6-3/h9-13,16-17H,4-8H2,1-3H3.
What are the key properties of 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol?
1-(4-ethoxyphenyl)-2-ethylhexan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-2-ethylhexan-1-ol is sourced from PubChem (CID 61099537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).