2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene

C15H19BrO2 — CID 146501795

IUPAC2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene
SMILESCOC=C1CCC(c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C15H19BrO2/c1-17-10-11-3-5-12(6-4-11)13-7-8-15(18-2)14(16)9-13/h7-10,12H,3-6H2,1-2H3/b11-10-
InChIKeyNRQSSNMVZUFUCR-KHPPLWFESA-N
MW311.22 g/mol
LogP4.65
Rot. Bonds3

About 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene

2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene (PubChem CID 146501795) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene.

Molecular Properties

Compound Name2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene
PubChem CID146501795
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene
SMILESCOC=C1CCC(c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C15H19BrO2/c1-17-10-11-3-5-12(6-4-11)13-7-8-15(18-2)14(16)9-13/h7-10,12H,3-6H2,1-2H3/b11-10-
InChIKeyNRQSSNMVZUFUCR-KHPPLWFESA-N
XLogP4.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethoxy)-3-[4-(methoxymethylidene)cyclohexyl]benzene
CID 135329654
4-(3-bromo-4-methoxyphenyl)piperidine-2,6-dione
CID 63156689
4-[(3-bromo-4-methoxyphenyl)methylidene]cyclohexan-1-amine
CID 79880419
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
(2S)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6940215
(2R)-2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidin-3-ium
CID 6940216
2-(3-bromo-4-methoxyphenyl)-N-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114711935
2-(3-bromo-4-methoxyphenyl)-1,3-thiazolidine;hydrochloride
CID 126475922
(4-cyclohexylphenyl) 3-bromo-4-methoxybenzoate
CID 22310284
2-bromo-4-cyclopropyl-1-methylbenzene
CID 66521055
N-[2-[3-(3-bromo-4-methoxyphenyl)pyrrolidin-1-yl]ethyl]pyridin-2-amine
CID 70339719
4-cyclopropyl-2-methoxy-1-methylbenzene;ethane
CID 168942546

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene?
The IUPAC name of 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene (CID 146501795) is 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene.
What is the SMILES notation for 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene?
The canonical SMILES for 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene is COC=C1CCC(c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene?
The InChIKey is NRQSSNMVZUFUCR-KHPPLWFESA-N. The full InChI is InChI=1S/C15H19BrO2/c1-17-10-11-3-5-12(6-4-11)13-7-8-15(18-2)14(16)9-13/h7-10,12H,3-6H2,1-2H3/b11-10-.
What are the key properties of 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene?
2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene has a molecular weight of 311.22 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methoxy-4-[4-(methoxymethylidene)cyclohexyl]benzene is sourced from PubChem (CID 146501795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).