2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol

C19H22O2 — CID 59444390

IUPAC2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol
SMILESC=C(C)c1ccc(C)cc1-c1c(O)cc(CCC)cc1O
InChIInChI=1S/C19H22O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h7-11,20-21H,2,5-6H2,1,3-4H3
InChIKeyCOURSARJQZMTEZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.06
Rot. Bonds4

About 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol

2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol (PubChem CID 59444390) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol.

Molecular Properties

Compound Name2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol
PubChem CID59444390
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol
SMILESC=C(C)c1ccc(C)cc1-c1c(O)cc(CCC)cc1O
InChIInChI=1S/C19H22O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h7-11,20-21H,2,5-6H2,1,3-4H3
InChIKeyCOURSARJQZMTEZ-UHFFFAOYSA-N
XLogP5.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 644019
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CID 72303
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CID 11601669
CID 11601669
CID 3610
CID 3610
CID 2543
CID 2543
CID 6439522
CID 6439522
CID 5280457
CID 5280457
CID 6815
CID 6815
CID 17016
CID 17016
CID 5315659
CID 5315659
CID 12785
CID 12785
CID 8601
CID 8601

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol?
The IUPAC name of 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol (CID 59444390) is 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol.
What is the SMILES notation for 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol?
The canonical SMILES for 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol is C=C(C)c1ccc(C)cc1-c1c(O)cc(CCC)cc1O.
What is the InChIKey of 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol?
The InChIKey is COURSARJQZMTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h7-11,20-21H,2,5-6H2,1,3-4H3.
What are the key properties of 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol?
2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol has a molecular weight of 282.38 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-prop-1-en-2-ylphenyl)-5-propylbenzene-1,3-diol is sourced from PubChem (CID 59444390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).