CID 59090938

C11H10O2 — CID 59090938

IUPAC—
SMILES[CH]C(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C11H10O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h1,3-8H,2H3/b4-3+
InChIKeyDJDODYXDHVKSFQ-ONEGZZNKSA-N
MW174.20 g/mol
LogP1.99
Rot. Bonds3

About CID 59090938

CID 59090938 (PubChem CID 59090938) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol.

Molecular Properties

Compound NameCID 59090938
PubChem CID59090938
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name—
SMILES[CH]C(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C11H10O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h1,3-8H,2H3/b4-3+
InChIKeyDJDODYXDHVKSFQ-ONEGZZNKSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
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azane;3-(4-methoxyphenyl)prop-2-enoic acid
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(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
CID 69129935
CID 69129935
(E)-3-(4-methoxyphenyl)-N'-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enehydrazide
CID 21406103
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516
N-methoxy-3-(4-methoxyphenyl)-N-methylprop-2-enamide
CID 54257265
(3E,5E)-6-(4-methoxyphenyl)-4-methylhexa-3,5-dien-2-one
CID 135073117
(1E)-1-(4-methoxyphenyl)penta-1,4-dien-3-one
CID 23464062
3-[4-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 20993961
potassium (E)-4-(4-methoxyphenyl)-2-oxobut-3-enoic acid
CID 54609624
methyl 3-(4-methoxyphenyl)prop-2-eneperoxoate
CID 87945144

Frequently Asked Questions

What is the IUPAC name of CID 59090938?
The IUPAC name of CID 59090938 (CID 59090938) is not available.
What is the SMILES notation for CID 59090938?
The canonical SMILES for CID 59090938 is [CH]C(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of CID 59090938?
The InChIKey is DJDODYXDHVKSFQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H10O2/c1-9(12)3-4-10-5-7-11(13-2)8-6-10/h1,3-8H,2H3/b4-3+.
What are the key properties of CID 59090938?
CID 59090938 has a molecular weight of 174.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59090938 is sourced from PubChem (CID 59090938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).