(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane

C23H30O4 — CID 143308390

IUPAC(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane
SMILESCC(C)C.CC(C)Oc1ccc(C(=O)c2ccc(C3CC3)cc2O)c(O)c1
InChIInChI=1S/C19H20O4.C4H10/c1-11(2)23-14-6-8-16(18(21)10-14)19(22)15-7-5-13(9-17(15)20)12-3-4-12;1-4(2)3/h5-12,20-21H,3-4H2,1-2H3;4H,1-3H3
InChIKeyNPUFIPLFOYIWRW-UHFFFAOYSA-N
MW370.49 g/mol
LogP5.66
Rot. Bonds5

About (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane

(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane (PubChem CID 143308390) has the molecular formula C23H30O4 and a molecular weight of 370.49 g/mol. Its IUPAC name is (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane.

Molecular Properties

Compound Name(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane
PubChem CID143308390
Molecular FormulaC23H30O4
Molecular Weight370.49 g/mol
Exact Mass370.21
IUPAC Name(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane
SMILESCC(C)C.CC(C)Oc1ccc(C(=O)c2ccc(C3CC3)cc2O)c(O)c1
InChIInChI=1S/C19H20O4.C4H10/c1-11(2)23-14-6-8-16(18(21)10-14)19(22)15-7-5-13(9-17(15)20)12-3-4-12;1-4(2)3/h5-12,20-21H,3-4H2,1-2H3;4H,1-3H3
InChIKeyNPUFIPLFOYIWRW-UHFFFAOYSA-N
XLogP5.66
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis(4-butoxy-2-hydroxyphenyl)methanone;bis(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 162086592
(4-cyclohexa-2,4-dien-1-ylphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone
CID 143289914
methyl 4-cyclopropyl-2-propan-2-yloxybenzoate
CID 90423653
N-methyl-4-(4-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 116962676
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
CID 135325809
4-(6-propan-2-yloxynaphthalen-2-yl)piperidine
CID 146675177
1-[2-hydroxy-4-(4-methylcyclohexyl)phenyl]propan-1-one
CID 70870218
2,8,14,20-tetrakis(4-propan-2-yloxyphenyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3(28),4,6,9(27),10,12,15,17,19(26),21,23-dodecaene-4,6,10,12,16,18,22,24-octol
CID 139201389
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
2,5-di(propan-2-yloxy)phenol
CID 57426094
[2,4-dimethyl-4-[4-[4-(4-propan-2-yloxyphenyl)cyclohexyl]phenoxy]pentan-2-yl] 2-methylprop-2-enoate
CID 142284351
1-(2,4-dihydroxyphenyl)-2-(4-propan-2-yloxyphenyl)ethanone
CID 765925

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane?
The IUPAC name of (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane (CID 143308390) is (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane.
What is the SMILES notation for (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane?
The canonical SMILES for (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane is CC(C)C.CC(C)Oc1ccc(C(=O)c2ccc(C3CC3)cc2O)c(O)c1.
What is the InChIKey of (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane?
The InChIKey is NPUFIPLFOYIWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4.C4H10/c1-11(2)23-14-6-8-16(18(21)10-14)19(22)15-7-5-13(9-17(15)20)12-3-4-12;1-4(2)3/h5-12,20-21H,3-4H2,1-2H3;4H,1-3H3.
What are the key properties of (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane?
(4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane has a molecular weight of 370.49 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-2-hydroxyphenyl)-(2-hydroxy-4-propan-2-yloxyphenyl)methanone;2-methylpropane is sourced from PubChem (CID 143308390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).