4-(4-propan-2-yloxyphenyl)heptan-4-ol

C16H26O2 — CID 114866121

IUPAC4-(4-propan-2-yloxyphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26O2/c1-5-11-16(17,12-6-2)14-7-9-15(10-8-14)18-13(3)4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyVYXIRCUHUKUREF-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.26
Rot. Bonds7

About 4-(4-propan-2-yloxyphenyl)heptan-4-ol

4-(4-propan-2-yloxyphenyl)heptan-4-ol (PubChem CID 114866121) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 4-(4-propan-2-yloxyphenyl)heptan-4-ol.

Molecular Properties

Compound Name4-(4-propan-2-yloxyphenyl)heptan-4-ol
PubChem CID114866121
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name4-(4-propan-2-yloxyphenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1ccc(OC(C)C)cc1
InChIInChI=1S/C16H26O2/c1-5-11-16(17,12-6-2)14-7-9-15(10-8-14)18-13(3)4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeyVYXIRCUHUKUREF-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
1-(dimethylamino)-3-(4-methoxyphenyl)hexan-3-ol
CID 3242685
(2S)-2-(3-propan-2-yloxyphenyl)pentan-2-ol
CID 97048457
5-(4-methoxyphenyl)nonan-5-ol
CID 15695648
1-phenyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62795392
2-amino-2-methyl-1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 116557003
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
2-(4-propan-2-yloxyphenyl)propane-1,2-diamine
CID 116855579
4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]phenol
CID 21466220
1-(3-methylpentan-3-yloxy)-4-[2-(4-propan-2-yloxyphenyl)propan-2-yl]benzene
CID 70794455
1-cyclopropyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 62796946
1-methoxy-1-(4-propan-2-yloxyphenyl)pentan-2-one
CID 83226792

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-yloxyphenyl)heptan-4-ol?
The IUPAC name of 4-(4-propan-2-yloxyphenyl)heptan-4-ol (CID 114866121) is 4-(4-propan-2-yloxyphenyl)heptan-4-ol.
What is the SMILES notation for 4-(4-propan-2-yloxyphenyl)heptan-4-ol?
The canonical SMILES for 4-(4-propan-2-yloxyphenyl)heptan-4-ol is CCCC(O)(CCC)c1ccc(OC(C)C)cc1.
What is the InChIKey of 4-(4-propan-2-yloxyphenyl)heptan-4-ol?
The InChIKey is VYXIRCUHUKUREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-11-16(17,12-6-2)14-7-9-15(10-8-14)18-13(3)4/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of 4-(4-propan-2-yloxyphenyl)heptan-4-ol?
4-(4-propan-2-yloxyphenyl)heptan-4-ol has a molecular weight of 250.38 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-yloxyphenyl)heptan-4-ol is sourced from PubChem (CID 114866121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).