3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol

C11H16O3 — CID 142154415

IUPAC3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol
SMILESCOC1=CC(C)=CC(OC)C(O)=C1C
InChIInChI=1S/C11H16O3/c1-7-5-9(13-3)8(2)11(12)10(6-7)14-4/h5-6,10,12H,1-4H3
InChIKeyRXINVNGOCWNKOW-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.32
Rot. Bonds2

About 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol

3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol (PubChem CID 142154415) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol.

Molecular Properties

Compound Name3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol
PubChem CID142154415
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol
SMILESCOC1=CC(C)=CC(OC)C(O)=C1C
InChIInChI=1S/C11H16O3/c1-7-5-9(13-3)8(2)11(12)10(6-7)14-4/h5-6,10,12H,1-4H3
InChIKeyRXINVNGOCWNKOW-UHFFFAOYSA-N
XLogP2.32
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethoxycyclohexa-2,4-diene-1,1,4-triol
CID 140774926
2,3-dimethoxy-7-methylcyclohepta-1,3,5-triene
CID 170731638
2,6-dimethoxy-4-methylcyclohexa-2,5-dien-1-one
CID 142171284
3-methoxy-1,2,5-trimethylcyclohexa-1,3-diene
CID 19956540
1,3,5,6-tetramethoxy-1H-indene
CID 18427629
1-methoxy-3,5-dimethylcyclohexa-1,3-diene
CID 13418692
4-diazo-3,6-dimethoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine;dihydroxy(dioxo)chromium
CID 19805253
(1S)-9-hydroxy-4-methoxy-8,8-dimethylbicyclo[3.3.1]nona-3,5(9)-dien-2-one
CID 135013991
(3,5-dimethoxy-6-methylidenecyclohexa-1,3-dien-1-yl)boronic acid
CID 163717596
(NE)-N-[(2,4,6-trimethoxycyclohexa-1,5-dien-1-yl)methylidene]hydroxylamine
CID 90473111
(3,6-dimethoxy-1,4-dimethylcyclohexa-2,4-dien-1-yl)phosphonic acid
CID 151266368
3-methoxy-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 157089353

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol?
The IUPAC name of 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol (CID 142154415) is 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol.
What is the SMILES notation for 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol?
The canonical SMILES for 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol is COC1=CC(C)=CC(OC)C(O)=C1C.
What is the InChIKey of 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol?
The InChIKey is RXINVNGOCWNKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-5-9(13-3)8(2)11(12)10(6-7)14-4/h5-6,10,12H,1-4H3.
What are the key properties of 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol?
3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol has a molecular weight of 196.25 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-2,5-dimethylcyclohepta-1,3,5-trien-1-ol is sourced from PubChem (CID 142154415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).