(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone

C19H22O3 — CID 23109143

IUPAC(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
SMILESCCCc1cc(C(=O)c2ccccc2)c(O)c(CCC)c1O
InChIInChI=1S/C19H22O3/c1-3-8-14-12-16(17(20)13-10-6-5-7-11-13)19(22)15(9-4-2)18(14)21/h5-7,10-12,21-22H,3-4,8-9H2,1-2H3
InChIKeyYJXXMPSZDAHNKD-UHFFFAOYSA-N
MW298.38 g/mol
LogP4.23
Rot. Bonds6

About (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone

(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone (PubChem CID 23109143) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
PubChem CID23109143
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone
SMILESCCCc1cc(C(=O)c2ccccc2)c(O)c(CCC)c1O
InChIInChI=1S/C19H22O3/c1-3-8-14-12-16(17(20)13-10-6-5-7-11-13)19(22)15(9-4-2)18(14)21/h5-7,10-12,21-22H,3-4,8-9H2,1-2H3
InChIKeyYJXXMPSZDAHNKD-UHFFFAOYSA-N
XLogP4.23
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibutyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 23109188
phenyl-(2,3,4,5-tetrapropylphenyl)methanone
CID 134864036
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
(2-amino-3,4-dipropylphenyl)-phenylmethanone
CID 154351124
(3-benzoyl-5-hexyl-2,4-dihydroxyphenyl)-phenylmethanone
CID 516965
(2-hydroxy-4-methoxy-3-propylphenyl)-phenylmethanone
CID 86122742
(3,4,5-trihydroxyphenyl)-(2,3,4-trihydroxy-5-propylphenyl)methanone
CID 19910474
(4-heptyl-2,3,5-trihydroxyphenyl)-phenylmethanone
CID 174471855
4-[(4-benzoyl-3-hydroxy-2-propylphenyl)methoxy]benzoic acid
CID 15682702
N,2,4-trihydroxy-N-propan-2-yl-3,5-dipropylbenzamide
CID 23549389
[5-benzoyl-2,4-dihydroxy-3-[(2-methylpropan-2-yl)oxymethyl]phenyl]-phenylmethanone
CID 22461767
N-benzoyl-2,3-dipropylbenzamide
CID 175499264

Frequently Asked Questions

What is the IUPAC name of (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone?
The IUPAC name of (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone (CID 23109143) is (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone.
What is the SMILES notation for (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone?
The canonical SMILES for (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone is CCCc1cc(C(=O)c2ccccc2)c(O)c(CCC)c1O.
What is the InChIKey of (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone?
The InChIKey is YJXXMPSZDAHNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c1-3-8-14-12-16(17(20)13-10-6-5-7-11-13)19(22)15(9-4-2)18(14)21/h5-7,10-12,21-22H,3-4,8-9H2,1-2H3.
What are the key properties of (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone?
(2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone has a molecular weight of 298.38 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dihydroxy-3,5-dipropylphenyl)-phenylmethanone is sourced from PubChem (CID 23109143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).