6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride

C8H13ClO — CID 144964238

IUPAC6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
SMILESCOC1C=C(C)C=CC1.Cl
InChIInChI=1S/C8H12O.ClH/c1-7-4-3-5-8(6-7)9-2;/h3-4,6,8H,5H2,1-2H3;1H
InChIKeySSEPSQXCADBMPA-UHFFFAOYSA-N
MW160.64 g/mol
LogP2.33
Rot. Bonds1

About 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride

6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride (PubChem CID 144964238) has the molecular formula C8H13ClO and a molecular weight of 160.64 g/mol. Its IUPAC name is 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride.

Molecular Properties

Compound Name6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
PubChem CID144964238
Molecular FormulaC8H13ClO
Molecular Weight160.64 g/mol
Exact Mass160.07
IUPAC Name6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride
SMILESCOC1C=C(C)C=CC1.Cl
InChIInChI=1S/C8H12O.ClH/c1-7-4-3-5-8(6-7)9-2;/h3-4,6,8H,5H2,1-2H3;1H
InChIKeySSEPSQXCADBMPA-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.64
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 146989399
3-methylcyclohexa-2,4-diene-1-carbonitrile
CID 89093757
2-(cyclohexa-1,5-dien-1-ylmethyl)-6-methoxycyclohexa-1,3-diene
CID 123581418
N,N,3-trimethylcyclohexa-2,4-dien-1-amine
CID 118506281
2-methyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89192313
5-methoxy-2-methylcyclohepta-1,3-diene
CID 70331714
5-[2,2-difluoro-2-(3-methoxycyclohexa-1,5-dien-1-yl)ethyl]-1,2,3-trimethoxybenzene
CID 174973970
7-methoxycycloocta-1,3,5-triene
CID 71368516
6-methoxy-6,7-dihydro-5H-benzo[7]annulene
CID 121011407
6-[(1Z,3Z)-4-iodobuta-1,3-dienyl]-2-methylcyclohexa-1,3-diene
CID 88891827
(3-methylcyclohexa-2,4-dien-1-yl)sulfonylbenzene
CID 142036993
N-(3-methoxycyclohexa-1,5-dien-1-yl)-N-(5-methoxycyclohexa-1,3-dien-1-yl)-4-silylaniline
CID 123977382

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride?
The IUPAC name of 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride (CID 144964238) is 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride.
What is the SMILES notation for 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride?
The canonical SMILES for 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride is COC1C=C(C)C=CC1.Cl.
What is the InChIKey of 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride?
The InChIKey is SSEPSQXCADBMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.ClH/c1-7-4-3-5-8(6-7)9-2;/h3-4,6,8H,5H2,1-2H3;1H.
What are the key properties of 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride?
6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride has a molecular weight of 160.64 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methylcyclohexa-1,3-diene;hydrochloride is sourced from PubChem (CID 144964238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).