CID 177396976

C10H11O2 — CID 177396976

IUPAC—
SMILESCOc1ccc([CH]C(C)=O)cc1
InChIInChI=1S/C10H11O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3
InChIKeyCYCVOQSYDDOLCG-UHFFFAOYSA-N
MW163.20 g/mol
LogP1.84
Rot. Bonds3

About CID 177396976

CID 177396976 (PubChem CID 177396976) has the molecular formula C10H11O2 and a molecular weight of 163.20 g/mol.

Molecular Properties

Compound NameCID 177396976
PubChem CID177396976
Molecular FormulaC10H11O2
Molecular Weight163.20 g/mol
Exact Mass163.08
IUPAC Name—
SMILESCOc1ccc([CH]C(C)=O)cc1
InChIInChI=1S/C10H11O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3
InChIKeyCYCVOQSYDDOLCG-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3E,5E)-6-(4-methoxyphenyl)-4-methylhexa-3,5-dien-2-one
CID 135073117
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
(E)-4-(4-methoxyphenyl)-3-methyl-2-oxobut-3-enoic acid
CID 57435525
(E)-2-hydroxy-3-(4-methoxyphenyl)prop-2-enoic acid
CID 11019723
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,4-dien-3-one
CID 101348718
(E)-4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 6157099
4-(4-methoxyphenyl)-3-methylbut-3-enoic acid
CID 4586282
1-[(E)-2-fluoroprop-1-enyl]-4-methoxybenzene
CID 125475931
azane;3-(4-methoxyphenyl)prop-2-enoic acid
CID 69170701
4-(4-methoxybenzoyl)benzaldehyde
CID 56593020
methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 641297

Frequently Asked Questions

What is the IUPAC name of CID 177396976?
The IUPAC name of CID 177396976 (CID 177396976) is not available.
What is the SMILES notation for CID 177396976?
The canonical SMILES for CID 177396976 is COc1ccc([CH]C(C)=O)cc1.
What is the InChIKey of CID 177396976?
The InChIKey is CYCVOQSYDDOLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O2/c1-8(11)7-9-3-5-10(12-2)6-4-9/h3-7H,1-2H3.
What are the key properties of CID 177396976?
CID 177396976 has a molecular weight of 163.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177396976 is sourced from PubChem (CID 177396976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).