(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

C10H12O3 — CID 59165112

IUPAC(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESC=c1c(OC)ccc(OC)/c1=C\O
InChIInChI=1S/C10H12O3/c1-7-8(6-11)10(13-3)5-4-9(7)12-2/h4-6,11H,1H2,2-3H3/b8-6-
InChIKeyCQILMJVFVXBEOO-VURMDHGXSA-N
MW180.20 g/mol
LogP0.41
Rot. Bonds2

About (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol

(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (PubChem CID 59165112) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
PubChem CID59165112
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol
SMILESC=c1c(OC)ccc(OC)/c1=C\O
InChIInChI=1S/C10H12O3/c1-7-8(6-11)10(13-3)5-4-9(7)12-2/h4-6,11H,1H2,2-3H3/b8-6-
InChIKeyCQILMJVFVXBEOO-VURMDHGXSA-N
XLogP0.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The IUPAC name of (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol (CID 59165112) is (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is C=c1c(OC)ccc(OC)/c1=C\O.
What is the InChIKey of (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
The InChIKey is CQILMJVFVXBEOO-VURMDHGXSA-N. The full InChI is InChI=1S/C10H12O3/c1-7-8(6-11)10(13-3)5-4-9(7)12-2/h4-6,11H,1H2,2-3H3/b8-6-.
What are the key properties of (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol?
(Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol has a molecular weight of 180.20 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2,5-dimethoxy-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 59165112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).