2-[4-(2-propylphenoxy)heptan-4-yl]phenol

C22H30O2 — CID 67178327

IUPAC2-[4-(2-propylphenoxy)heptan-4-yl]phenol
SMILESCCCc1ccccc1OC(CCC)(CCC)c1ccccc1O
InChIInChI=1S/C22H30O2/c1-4-11-18-12-7-10-15-21(18)24-22(16-5-2,17-6-3)19-13-8-9-14-20(19)23/h7-10,12-15,23H,4-6,11,16-17H2,1-3H3
InChIKeyBNOZBGCQTIXDLH-UHFFFAOYSA-N
MW326.48 g/mol
LogP6.22
Rot. Bonds9

About 2-[4-(2-propylphenoxy)heptan-4-yl]phenol

2-[4-(2-propylphenoxy)heptan-4-yl]phenol (PubChem CID 67178327) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 2-[4-(2-propylphenoxy)heptan-4-yl]phenol.

Molecular Properties

Compound Name2-[4-(2-propylphenoxy)heptan-4-yl]phenol
PubChem CID67178327
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name2-[4-(2-propylphenoxy)heptan-4-yl]phenol
SMILESCCCc1ccccc1OC(CCC)(CCC)c1ccccc1O
InChIInChI=1S/C22H30O2/c1-4-11-18-12-7-10-15-21(18)24-22(16-5-2,17-6-3)19-13-8-9-14-20(19)23/h7-10,12-15,23H,4-6,11,16-17H2,1-3H3
InChIKeyBNOZBGCQTIXDLH-UHFFFAOYSA-N
XLogP6.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis[5-(2-butylphenoxy)nonan-5-yl]phenol
CID 67178803
2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
CID 155686228
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
(2-propylphenyl) formate
CID 54498769
bis(2-propylphenyl) carbonate
CID 66781525
2-(1,1-diphenoxybutyl)phenol
CID 66866351
4-(2-ethoxyphenyl)heptan-4-ol
CID 114866097
azane;4-(2,3-dipropylphenyl)heptan-4-ol
CID 172695621
(2-propylphenyl) hydrogen sulfite
CID 141345430
(2-propylphenyl) hydrogen sulfate
CID 22461372
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
tert-butyl-dimethyl-(2-propylphenoxy)silane
CID 11196040

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-propylphenoxy)heptan-4-yl]phenol?
The IUPAC name of 2-[4-(2-propylphenoxy)heptan-4-yl]phenol (CID 67178327) is 2-[4-(2-propylphenoxy)heptan-4-yl]phenol.
What is the SMILES notation for 2-[4-(2-propylphenoxy)heptan-4-yl]phenol?
The canonical SMILES for 2-[4-(2-propylphenoxy)heptan-4-yl]phenol is CCCc1ccccc1OC(CCC)(CCC)c1ccccc1O.
What is the InChIKey of 2-[4-(2-propylphenoxy)heptan-4-yl]phenol?
The InChIKey is BNOZBGCQTIXDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-4-11-18-12-7-10-15-21(18)24-22(16-5-2,17-6-3)19-13-8-9-14-20(19)23/h7-10,12-15,23H,4-6,11,16-17H2,1-3H3.
What are the key properties of 2-[4-(2-propylphenoxy)heptan-4-yl]phenol?
2-[4-(2-propylphenoxy)heptan-4-yl]phenol has a molecular weight of 326.48 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propylphenoxy)heptan-4-yl]phenol is sourced from PubChem (CID 67178327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).