2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate

C23H34O4 — CID 134193059

IUPAC2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C2CCC(CCC)CO2)ccc1CCCO
InChIInChI=1S/C23H34O4/c1-4-6-18-8-11-22(27-16-18)21-10-9-19(7-5-13-24)20(15-21)12-14-26-23(25)17(2)3/h9-10,15,18,22,24H,2,4-8,11-14,16H2,1,3H3
InChIKeyYFBCWQBYPMAGNE-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.54
Rot. Bonds10

About 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate

2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate (PubChem CID 134193059) has the molecular formula C23H34O4 and a molecular weight of 374.52 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate
PubChem CID134193059
Molecular FormulaC23H34O4
Molecular Weight374.52 g/mol
Exact Mass374.25
IUPAC Name2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCc1cc(C2CCC(CCC)CO2)ccc1CCCO
InChIInChI=1S/C23H34O4/c1-4-6-18-8-11-22(27-16-18)21-10-9-19(7-5-13-24)20(15-21)12-14-26-23(25)17(2)3/h9-10,15,18,22,24H,2,4-8,11-14,16H2,1,3H3
InChIKeyYFBCWQBYPMAGNE-UHFFFAOYSA-N
XLogP4.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3-hydroxypropyl)-5-[4-(oxan-2-yl)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134200373
2-[2-(2-hydroxyethyl)-5-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193326
2-[2-(3-hydroxypropyl)-5-[4-[4-(5-pentyloxan-2-yl)cyclohexyl]phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 134193800
2-[2-[2-(dimethylamino)ethyl]-5-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethyl 2-methylprop-2-enoate
CID 134193485
3-[2-(3-hydroxypropyl)-5-(4-propylphenyl)phenyl]propyl 2-methylprop-2-enoate
CID 134193029
3-[5-[4-(4-pentylcyclohexyl)cyclohexyl]-2-(3-tributoxysilylpropyl)phenyl]propyl 2-methylprop-2-enoate
CID 140837913
2-[2-(2-hydroxyethoxy)-5-(4-propylcyclohexyl)phenoxy]ethyl 2-methylprop-2-enoate
CID 134193064
2-[5-[2-ethyl-4-(4-pentylphenyl)phenyl]-2-(3-hydroxypropyl)phenyl]ethyl 2-methylprop-2-enoate
CID 134193365
3-[2-(2-hydroxyethoxy)-5-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]propyl 2-methylprop-2-enoate
CID 134193424
3-(4-propylcyclohexyl)propyl 2-methylprop-2-enoate
CID 59289014
2-[2-[6-[4-(3-hydroxypropyl)-3-[2-(2-methylprop-2-enoyloxy)ethyl]phenyl]naphthalen-2-yl]-5-pentylphenyl]ethyl 2-methylprop-2-enoate
CID 134193926
2-[5-[2-ethyl-4-(4-pentylcyclohexyl)phenyl]-2-(2-hydroxyethoxy)phenyl]ethyl 2-methylprop-2-enoate
CID 134193415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate (CID 134193059) is 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCc1cc(C2CCC(CCC)CO2)ccc1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate?
The InChIKey is YFBCWQBYPMAGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O4/c1-4-6-18-8-11-22(27-16-18)21-10-9-19(7-5-13-24)20(15-21)12-14-26-23(25)17(2)3/h9-10,15,18,22,24H,2,4-8,11-14,16H2,1,3H3.
What are the key properties of 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate?
2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate has a molecular weight of 374.52 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)-5-(5-propyloxan-2-yl)phenyl]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 134193059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).