4-(2-ethoxyphenyl)heptan-4-ol

C15H24O2 — CID 114866097

IUPAC4-(2-ethoxyphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1ccccc1OCC
InChIInChI=1S/C15H24O2/c1-4-11-15(16,12-5-2)13-9-7-8-10-14(13)17-6-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyLANWSFGHNOWSOM-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.87
Rot. Bonds7

About 4-(2-ethoxyphenyl)heptan-4-ol

4-(2-ethoxyphenyl)heptan-4-ol (PubChem CID 114866097) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-(2-ethoxyphenyl)heptan-4-ol.

Molecular Properties

Compound Name4-(2-ethoxyphenyl)heptan-4-ol
PubChem CID114866097
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-(2-ethoxyphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1ccccc1OCC
InChIInChI=1S/C15H24O2/c1-4-11-15(16,12-5-2)13-9-7-8-10-14(13)17-6-3/h7-10,16H,4-6,11-12H2,1-3H3
InChIKeyLANWSFGHNOWSOM-UHFFFAOYSA-N
XLogP3.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
1-bromo-2-(2-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 107140543
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549
2-(2-ethoxyphenyl)-4,4,4-trifluorobutan-2-ol
CID 156763137
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
4-naphthalen-1-ylheptan-4-ol
CID 114866255
2-(2-ethoxyphenyl)-1-(ethylamino)propan-2-ol
CID 62773390
1-(2-ethoxyphenyl)-2-methoxy-1-phenylethanol
CID 103465363
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
2-(2,3-diethoxyphenyl)propan-2-ol
CID 174362963
2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoic acid
CID 83043570
ethyl 2-[1-(2-ethoxyphenyl)-1-hydroxyethyl]pentanoate
CID 83039272

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyphenyl)heptan-4-ol?
The IUPAC name of 4-(2-ethoxyphenyl)heptan-4-ol (CID 114866097) is 4-(2-ethoxyphenyl)heptan-4-ol.
What is the SMILES notation for 4-(2-ethoxyphenyl)heptan-4-ol?
The canonical SMILES for 4-(2-ethoxyphenyl)heptan-4-ol is CCCC(O)(CCC)c1ccccc1OCC.
What is the InChIKey of 4-(2-ethoxyphenyl)heptan-4-ol?
The InChIKey is LANWSFGHNOWSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-11-15(16,12-5-2)13-9-7-8-10-14(13)17-6-3/h7-10,16H,4-6,11-12H2,1-3H3.
What are the key properties of 4-(2-ethoxyphenyl)heptan-4-ol?
4-(2-ethoxyphenyl)heptan-4-ol has a molecular weight of 236.35 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyphenyl)heptan-4-ol is sourced from PubChem (CID 114866097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).