CID 139244857

C19H18O2 — CID 139244857

IUPAC—
SMILESCC(=O)c1ccc([CH]C[CH]c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H18O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h4-13H,3H2,1-2H3
InChIKeyNWYUYCBOZSFWEQ-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.29
Rot. Bonds6

About CID 139244857

CID 139244857 (PubChem CID 139244857) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol.

Molecular Properties

Compound NameCID 139244857
PubChem CID139244857
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name—
SMILESCC(=O)c1ccc([CH]C[CH]c2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C19H18O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h4-13H,3H2,1-2H3
InChIKeyNWYUYCBOZSFWEQ-UHFFFAOYSA-N
XLogP4.29
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
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1-[4-[(E)-iodoiminomethyl]phenyl]ethanone
CID 143277433
3-(4-acetylphenyl)-2-methylprop-2-enoic acid
CID 67022362
ethane;1-(4-iodophenyl)ethanone
CID 159760217
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
CID 42611107
4-acetyl(11C)benzoic acid
CID 11205952
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
(Z)-3-(4-acetylphenyl)prop-2-enenitrile
CID 45085761
1-[4-(3-phenylpropa-1,2-dienyl)phenyl]ethanone
CID 102318435
7-acetyl-9-oxofluorene-2-carbaldehyde
CID 145345524

Frequently Asked Questions

What is the IUPAC name of CID 139244857?
The IUPAC name of CID 139244857 (CID 139244857) is not available.
What is the SMILES notation for CID 139244857?
The canonical SMILES for CID 139244857 is CC(=O)c1ccc([CH]C[CH]c2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of CID 139244857?
The InChIKey is NWYUYCBOZSFWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h4-13H,3H2,1-2H3.
What are the key properties of CID 139244857?
CID 139244857 has a molecular weight of 278.35 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139244857 is sourced from PubChem (CID 139244857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).