2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol

C23H32O3 — CID 90245279

IUPAC2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCCc1ccc(-c2ccc(CCC(CO)(CO)CO)cc2CC)cc1
InChIInChI=1S/C23H32O3/c1-3-5-18-6-9-21(10-7-18)22-11-8-19(14-20(22)4-2)12-13-23(15-24,16-25)17-26/h6-11,14,24-26H,3-5,12-13,15-17H2,1-2H3
InChIKeyLDPBPRVFCXLSRG-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.76
Rot. Bonds10

About 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol

2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 90245279) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID90245279
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCCc1ccc(-c2ccc(CCC(CO)(CO)CO)cc2CC)cc1
InChIInChI=1S/C23H32O3/c1-3-5-18-6-9-21(10-7-18)22-11-8-19(14-20(22)4-2)12-13-23(15-24,16-25)17-26/h6-11,14,24-26H,3-5,12-13,15-17H2,1-2H3
InChIKeyLDPBPRVFCXLSRG-UHFFFAOYSA-N
XLogP3.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[3-ethyl-4-(4-propylphenyl)phenyl]methanol
CID 90163510
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
2-[3-ethyl-4-[2-ethyl-4-[2-(4-propylphenyl)ethyl]phenyl]phenyl]ethanol
CID 118150619
2-ethyl-4-[4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 142281639
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
3-[3-ethyl-4-[3-ethyl-4-(4-methylphenyl)phenyl]phenyl]propan-1-ol
CID 118150545
1,2-diethyl-4-propylbenzene
CID 54363919
1-(2,4-dipropylphenyl)-3,5-dipropylbenzene
CID 174954649
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
2-[4-(2-fluoro-4-propylphenyl)phenyl]ethanol
CID 134432733
3-ethyl-4-[4-[2-ethyl-4-(4-pentylphenyl)phenyl]phenyl]phenol
CID 139457480
5-[3-ethyl-4-[2-ethyl-4-[2-(4-pentylphenyl)ethyl]phenyl]phenyl]pentan-1-ol
CID 118150631

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol (CID 90245279) is 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol is CCCc1ccc(-c2ccc(CCC(CO)(CO)CO)cc2CC)cc1.
What is the InChIKey of 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is LDPBPRVFCXLSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-3-5-18-6-9-21(10-7-18)22-11-8-19(14-20(22)4-2)12-13-23(15-24,16-25)17-26/h6-11,14,24-26H,3-5,12-13,15-17H2,1-2H3.
What are the key properties of 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol?
2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 356.51 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-ethyl-4-(4-propylphenyl)phenyl]ethyl]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 90245279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).