4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol

C10H14O4 — CID 143297281

IUPAC4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol
SMILESCOC1=CCC(CO)=CC(OC)=C1O
InChIInChI=1S/C10H14O4/c1-13-8-4-3-7(6-11)5-9(14-2)10(8)12/h4-5,11-12H,3,6H2,1-2H3
InChIKeyFEBJVZWWSFRHPV-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.26
Rot. Bonds3

About 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol

4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol (PubChem CID 143297281) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol
PubChem CID143297281
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol
SMILESCOC1=CCC(CO)=CC(OC)=C1O
InChIInChI=1S/C10H14O4/c1-13-8-4-3-7(6-11)5-9(14-2)10(8)12/h4-5,11-12H,3,6H2,1-2H3
InChIKeyFEBJVZWWSFRHPV-UHFFFAOYSA-N
XLogP1.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl 6-(hydroxymethyl)cyclohepta-1,3,6-triene-1,3-dicarboxylate
CID 143654839
(4Z)-6-methoxy-4-(1-methylsulfanylethylidene)cyclohexa-1,5-dien-1-ol
CID 139307737
(3-methylcyclohexa-1,3-dien-1-yl)methanol
CID 123140542
4-ethyl-2-methoxy-1-propan-2-ylcyclohexa-1,3-diene
CID 178118195
[3-[(6,7-dimethoxyquinazolin-4-yl)amino]cyclohepta-1,3,5-trien-1-yl]methanol
CID 142018097
3-ethoxy-5-ethyl-2-methoxycyclohepta-1,3,5-triene
CID 144669716
8-hydroxy-3-(hydroxymethyl)-6-methoxy-2H-naphthalen-1-one
CID 73010949
ethyl 6-methoxy-3-sulfonylcyclohexa-1,5-diene-1-carboxylate
CID 53445295
2-(3,4,5,5-tetramethoxycyclohexa-1,3-dien-1-yl)ethanamine
CID 162461405
4-chloro-2-methoxycyclohexa-1,3-dien-1-ol
CID 153377966
[1-(hydroxymethyl)-4,5,6-trimethoxy-3-methyl-8H-indeno[1,2-b]pyrrol-2-yl]methanol
CID 87624607
(E)-3-(4,6-dimethoxycyclohexa-1,5-dien-1-yl)prop-2-en-1-ol
CID 163678798

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol?
The IUPAC name of 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol (CID 143297281) is 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol.
What is the SMILES notation for 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol?
The canonical SMILES for 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol is COC1=CCC(CO)=CC(OC)=C1O.
What is the InChIKey of 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol?
The InChIKey is FEBJVZWWSFRHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-13-8-4-3-7(6-11)5-9(14-2)10(8)12/h4-5,11-12H,3,6H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol?
4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol has a molecular weight of 198.22 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-2,7-dimethoxycyclohepta-1,3,6-trien-1-ol is sourced from PubChem (CID 143297281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).