2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol

C13H12O3 — CID 50897006

IUPAC2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol
SMILESCOc1ccc(C(O)=C2C=CC=C2)c(O)c1
InChIInChI=1S/C13H12O3/c1-16-10-6-7-11(12(14)8-10)13(15)9-4-2-3-5-9/h2-8,14-15H,1H3
InChIKeyFBDJYDVYVQCHCP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.80
Rot. Bonds2

About 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol

2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol (PubChem CID 50897006) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol
PubChem CID50897006
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol
SMILESCOc1ccc(C(O)=C2C=CC=C2)c(O)c1
InChIInChI=1S/C13H12O3/c1-16-10-6-7-11(12(14)8-10)13(15)9-4-2-3-5-9/h2-8,14-15H,1H3
InChIKeyFBDJYDVYVQCHCP-UHFFFAOYSA-N
XLogP2.80
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-5-methoxyphenol
CID 137082808
5-methoxy-2-(1-phenylethenyl)phenol
CID 11064138
(E)-4-(2-hydroxy-4-methoxyphenyl)-4-oxobut-2-enoic acid
CID 12741452
4-(2-hydroxy-4-methoxybenzoyl)benzoic acid
CID 22162022
CID 175499515
CID 175499515
CID 172864174
CID 172864174
(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 8569
1-[2-(2-hydroxy-4-methoxybenzoyl)phenyl]ethanone
CID 96559735
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
(2-hydroxy-4-methoxyphenyl)-oxomethanesulfonic acid
CID 141261385
ethane;2-hydroxy-4-methoxy-N,N-dimethylbenzamide
CID 144990982
(2-hydroxy-4-methoxyphenyl)-phenylmethanone;(4-methoxyphenyl)-phenylmethanone
CID 159601745

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol?
The IUPAC name of 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol (CID 50897006) is 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol.
What is the SMILES notation for 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol?
The canonical SMILES for 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol is COc1ccc(C(O)=C2C=CC=C2)c(O)c1.
What is the InChIKey of 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol?
The InChIKey is FBDJYDVYVQCHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-16-10-6-7-11(12(14)8-10)13(15)9-4-2-3-5-9/h2-8,14-15H,1H3.
What are the key properties of 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol?
2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol has a molecular weight of 216.24 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-5-methoxyphenol is sourced from PubChem (CID 50897006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).