(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone

C19H22O4 — CID 135325809

IUPAC(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(OC(C)C)cc2O)cc1
InChIInChI=1S/C19H22O4/c1-4-11-22-15-7-5-14(6-8-15)19(21)17-10-9-16(12-18(17)20)23-13(2)3/h5-10,12-13,20H,4,11H2,1-3H3
InChIKeyGYCXSOQKMCNTRI-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.20
Rot. Bonds7

About (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone

(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone (PubChem CID 135325809) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone.

Molecular Properties

Compound Name(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
PubChem CID135325809
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)c2ccc(OC(C)C)cc2O)cc1
InChIInChI=1S/C19H22O4/c1-4-11-22-15-7-5-14(6-8-15)19(21)17-10-9-16(12-18(17)20)23-13(2)3/h5-10,12-13,20H,4,11H2,1-3H3
InChIKeyGYCXSOQKMCNTRI-UHFFFAOYSA-N
XLogP4.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.20
H-Bond Donors ≤ 51
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
[2-hydroxy-4-(2-methylpropoxy)phenyl]-[4-(2-methylpropoxy)phenyl]methanone
CID 141021495
(4-butoxyphenyl)-(2,3-dihydroxy-4-propan-2-yloxyphenyl)methanone
CID 175697504
(3,5-dipropoxyphenyl)-(4-propoxyphenyl)methanone
CID 135325812
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(2,4-dibromophenyl)-(4-propoxyphenyl)methanone
CID 107944442
(4-chloro-2-fluorophenyl)-(4-propoxyphenyl)methanone
CID 63081224
[4-[3-(4-benzoyl-3-hydroxyphenoxy)butan-2-yloxy]-2-hydroxyphenyl]-phenylmethanone
CID 158500330
(2-amino-4-chlorophenyl)-(4-propoxyphenyl)methanone
CID 64915974
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone?
The IUPAC name of (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone (CID 135325809) is (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone.
What is the SMILES notation for (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone?
The canonical SMILES for (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)c2ccc(OC(C)C)cc2O)cc1.
What is the InChIKey of (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone?
The InChIKey is GYCXSOQKMCNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-4-11-22-15-7-5-14(6-8-15)19(21)17-10-9-16(12-18(17)20)23-13(2)3/h5-10,12-13,20H,4,11H2,1-3H3.
What are the key properties of (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone?
(2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone has a molecular weight of 314.38 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-propan-2-yloxyphenyl)-(4-propoxyphenyl)methanone is sourced from PubChem (CID 135325809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).