bis[2-(3-hydroxypropyl)phenyl]methanone

C19H22O3 — CID 54073117

IUPACbis[2-(3-hydroxypropyl)phenyl]methanone
SMILESO=C(c1ccccc1CCCO)c1ccccc1CCCO
InChIInChI=1S/C19H22O3/c20-13-5-9-15-7-1-3-11-17(15)19(22)18-12-4-2-8-16(18)10-6-14-21/h1-4,7-8,11-12,20-21H,5-6,9-10,13-14H2
InChIKeyMHVZXLHZNIMYGA-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.77
Rot. Bonds8

About bis[2-(3-hydroxypropyl)phenyl]methanone

bis[2-(3-hydroxypropyl)phenyl]methanone (PubChem CID 54073117) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is bis[2-(3-hydroxypropyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-(3-hydroxypropyl)phenyl]methanone
PubChem CID54073117
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Namebis[2-(3-hydroxypropyl)phenyl]methanone
SMILESO=C(c1ccccc1CCCO)c1ccccc1CCCO
InChIInChI=1S/C19H22O3/c20-13-5-9-15-7-1-3-11-17(15)19(22)18-12-4-2-8-16(18)10-6-14-21/h1-4,7-8,11-12,20-21H,5-6,9-10,13-14H2
InChIKeyMHVZXLHZNIMYGA-UHFFFAOYSA-N
XLogP2.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-hydroxypropyl)phenyl]-phenylmethanone
CID 66892901
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
[2-[2-[2-(2-methylbenzoyl)phenyl]ethyl]phenyl]-(2-methylphenyl)methanone
CID 117071524
2-amino-3-(3-hydroxypropyl)benzoic acid
CID 121470801
2-[5-(2-carboxylatophenyl)pentyl]benzoate
CID 71439471
2-ethyl-3-(3-hydroxypropyl)benzoic acid
CID 54146728
bis[2-(3-hydroxypropyl)-4-propan-2-ylphenyl]methanone
CID 67578921
phenyl-(2-tridecylphenyl)methanone
CID 159151783
[2-(10-chlorodecyl)phenyl]-phenylmethanone
CID 157301070
3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289348
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-(3-fluoropropyl)benzoic acid
CID 83856062

Frequently Asked Questions

What is the IUPAC name of bis[2-(3-hydroxypropyl)phenyl]methanone?
The IUPAC name of bis[2-(3-hydroxypropyl)phenyl]methanone (CID 54073117) is bis[2-(3-hydroxypropyl)phenyl]methanone.
What is the SMILES notation for bis[2-(3-hydroxypropyl)phenyl]methanone?
The canonical SMILES for bis[2-(3-hydroxypropyl)phenyl]methanone is O=C(c1ccccc1CCCO)c1ccccc1CCCO.
What is the InChIKey of bis[2-(3-hydroxypropyl)phenyl]methanone?
The InChIKey is MHVZXLHZNIMYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O3/c20-13-5-9-15-7-1-3-11-17(15)19(22)18-12-4-2-8-16(18)10-6-14-21/h1-4,7-8,11-12,20-21H,5-6,9-10,13-14H2.
What are the key properties of bis[2-(3-hydroxypropyl)phenyl]methanone?
bis[2-(3-hydroxypropyl)phenyl]methanone has a molecular weight of 298.38 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3-hydroxypropyl)phenyl]methanone is sourced from PubChem (CID 54073117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).