8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol

C10H11ClO3 — CID 84680580

IUPAC8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
SMILESCc1c(O)c(Cl)cc2c1OCCCO2
InChIInChI=1S/C10H11ClO3/c1-6-9(12)7(11)5-8-10(6)14-4-2-3-13-8/h5,12H,2-4H2,1H3
InChIKeyCRWVAUIUNBCTDE-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.52
Rot. Bonds

About 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol

8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol (PubChem CID 84680580) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol.

Molecular Properties

Compound Name8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
PubChem CID84680580
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
SMILESCc1c(O)c(Cl)cc2c1OCCCO2
InChIInChI=1S/C10H11ClO3/c1-6-9(12)7(11)5-8-10(6)14-4-2-3-13-8/h5,12H,2-4H2,1H3
InChIKeyCRWVAUIUNBCTDE-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

2-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117358661
(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanamine
CID 84691494
8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepine-7-carbonitrile
CID 117320977
8-chloro-6-(3-hydroxypropyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117400373
8-chloro-6-(1-hydroxypropan-2-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117400570
2-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117392870
2-(8-chloro-7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-hydroxyacetic acid
CID 117439101
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
7-chloro-5-(1-hydroxyethyl)-2,3-dihydro-1,4-benzodioxin-6-ol
CID 84693988
1-[(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]piperazine
CID 117478248
2-amino-3-(8-chloro-7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanoic acid
CID 117464334
8-chloro-6-piperidin-3-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117456067

Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
The IUPAC name of 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol (CID 84680580) is 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol.
What is the SMILES notation for 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
The canonical SMILES for 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol is Cc1c(O)c(Cl)cc2c1OCCCO2.
What is the InChIKey of 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
The InChIKey is CRWVAUIUNBCTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c1-6-9(12)7(11)5-8-10(6)14-4-2-3-13-8/h5,12H,2-4H2,1H3.
What are the key properties of 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol?
8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol has a molecular weight of 214.65 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-ol is sourced from PubChem (CID 84680580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).