2-bromo-5-methoxycyclohexa-1,5-dien-1-ol

C7H9BrO2 — CID 147072342

IUPAC2-bromo-5-methoxycyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(O)=C(Br)CC1
InChIInChI=1S/C7H9BrO2/c1-10-5-2-3-6(8)7(9)4-5/h4,9H,2-3H2,1H3
InChIKeyBFHHIXHGQUMESK-UHFFFAOYSA-N
MW205.05 g/mol
LogP2.47
Rot. Bonds1

About 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol

2-bromo-5-methoxycyclohexa-1,5-dien-1-ol (PubChem CID 147072342) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-bromo-5-methoxycyclohexa-1,5-dien-1-ol
PubChem CID147072342
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name2-bromo-5-methoxycyclohexa-1,5-dien-1-ol
SMILESCOC1=CC(O)=C(Br)CC1
InChIInChI=1S/C7H9BrO2/c1-10-5-2-3-6(8)7(9)4-5/h4,9H,2-3H2,1H3
InChIKeyBFHHIXHGQUMESK-UHFFFAOYSA-N
XLogP2.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 130216991
1,5-dimethoxycyclohepta-1,4-diene
CID 156747546
(2E,6E,8Z)-8-ethylidene-3,6-dimethoxy-N-methylcycloocta-2,6-dien-1-imine
CID 143025790
3-methoxy(213C)cyclohex-2-en-1-one
CID 11789224
2-chloro-1-ethyl-4-methoxycyclohexa-1,3-diene
CID 142915949
3-methoxy-N-methylcyclohex-2-en-1-imine
CID 13217914
(1R)-4-methoxycyclohex-3-en-1-ol
CID 86316817
7-methoxy-1,1-dimethyl-3,4,5,6-tetrahydronaphthalen-2-one
CID 155073535
methyl 2-bromo-5-chlorocyclohexa-1,5-diene-1-carboxylate
CID 153339864
N-(4-methoxy-2-methylcyclohexa-1,3-dien-1-yl)methanesulfonamide
CID 170060778
1-methoxy-5-methylcyclohepta-1,4-diene
CID 143950123
4-methoxycyclohexa-1,3-diene-1-carboxamide
CID 19773130

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol (CID 147072342) is 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol is COC1=CC(O)=C(Br)CC1.
What is the InChIKey of 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol?
The InChIKey is BFHHIXHGQUMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrO2/c1-10-5-2-3-6(8)7(9)4-5/h4,9H,2-3H2,1H3.
What are the key properties of 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol?
2-bromo-5-methoxycyclohexa-1,5-dien-1-ol has a molecular weight of 205.05 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxycyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 147072342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).