CID 174140193

C16H13BO4 — CID 174140193

IUPAC—
SMILES[B]c1ccc(/C=C/C(=O)c2c(O)cc(O)cc2OC)cc1
InChIInChI=1S/C16H13BO4/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,18,20H,1H3/b7-4+
InChIKeyOOKQBDPGLAYXDO-QPJJXVBHSA-N
MW280.09 g/mol
LogP1.80
Rot. Bonds4

About CID 174140193

CID 174140193 (PubChem CID 174140193) has the molecular formula C16H13BO4 and a molecular weight of 280.09 g/mol.

Molecular Properties

Compound NameCID 174140193
PubChem CID174140193
Molecular FormulaC16H13BO4
Molecular Weight280.09 g/mol
Exact Mass280.09
IUPAC Name—
SMILES[B]c1ccc(/C=C/C(=O)c2c(O)cc(O)cc2OC)cc1
InChIInChI=1S/C16H13BO4/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,18,20H,1H3/b7-4+
InChIKeyOOKQBDPGLAYXDO-QPJJXVBHSA-N
XLogP1.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze CID 174140193 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-chlorophenyl)-1-(2,4-dihydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 67218270
3-(1,3-benzodioxol-5-yl)-1-(2,4-dihydroxy-6-methoxyphenyl)prop-2-en-1-one
CID 67345734
3-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 3938424
(Z)-3-(4-chlorophenyl)-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-2-en-1-one
CID 98822160
[4-[3-(4-acetyloxy-2-hydroxy-6-methoxyphenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 74110996
1-(2-hydroxy-6-methoxy-4-methylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
CID 70481141
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 6440299
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-en-1-one
CID 174844694
1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 85370109
(E)-3-(4-methoxyphenyl)-1-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 5378566
(E)-1-(2-hydroxy-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one
CID 70696711
1-(4-hydroxy-2-methoxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25201046

Frequently Asked Questions

What is the IUPAC name of CID 174140193?
The IUPAC name of CID 174140193 (CID 174140193) is not available.
What is the SMILES notation for CID 174140193?
The canonical SMILES for CID 174140193 is [B]c1ccc(/C=C/C(=O)c2c(O)cc(O)cc2OC)cc1.
What is the InChIKey of CID 174140193?
The InChIKey is OOKQBDPGLAYXDO-QPJJXVBHSA-N. The full InChI is InChI=1S/C16H13BO4/c1-21-15-9-12(18)8-14(20)16(15)13(19)7-4-10-2-5-11(17)6-3-10/h2-9,18,20H,1H3/b7-4+.
What are the key properties of CID 174140193?
CID 174140193 has a molecular weight of 280.09 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174140193 is sourced from PubChem (CID 174140193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).