CID 12714057

C15H15O3 — CID 12714057

IUPAC—
SMILESCOc1ccc([C](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,16H,1-2H3
InChIKeyIKXQOXGFLNCCRO-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.00
Rot. Bonds4

About CID 12714057

CID 12714057 (PubChem CID 12714057) has the molecular formula C15H15O3 and a molecular weight of 243.28 g/mol.

Molecular Properties

Compound NameCID 12714057
PubChem CID12714057
Molecular FormulaC15H15O3
Molecular Weight243.28 g/mol
Exact Mass243.10
IUPAC Name—
SMILESCOc1ccc([C](O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C15H15O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,16H,1-2H3
InChIKeyIKXQOXGFLNCCRO-UHFFFAOYSA-N
XLogP3.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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dipotassium;hydride;bis(4-methoxybenzoic acid)
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1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
(4-methoxybenzoyl)-λ2-stannane
CID 174742034
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
S-methyl 2-(4-methoxyphenyl)-2-oxoethanethioate
CID 12957088
(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
CID 6037096

Frequently Asked Questions

What is the IUPAC name of CID 12714057?
The IUPAC name of CID 12714057 (CID 12714057) is not available.
What is the SMILES notation for CID 12714057?
The canonical SMILES for CID 12714057 is COc1ccc([C](O)c2ccc(OC)cc2)cc1.
What is the InChIKey of CID 12714057?
The InChIKey is IKXQOXGFLNCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10,16H,1-2H3.
What are the key properties of CID 12714057?
CID 12714057 has a molecular weight of 243.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 12714057 is sourced from PubChem (CID 12714057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).