[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol

C17H23NO4 — CID 70705472

IUPAC[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol
SMILESCOc1cccc2c1OCC(CN1CCOCC(CO)C1)=C2
InChIInChI=1S/C17H23NO4/c1-20-16-4-2-3-15-7-13(12-22-17(15)16)8-18-5-6-21-11-14(9-18)10-19/h2-4,7,14,19H,5-6,8-12H2,1H3
InChIKeyDUXNBQXSZWRSAV-UHFFFAOYSA-N
MW305.37 g/mol
LogP1.41
Rot. Bonds4

About [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol

[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol (PubChem CID 70705472) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol.

Molecular Properties

Compound Name[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol
PubChem CID70705472
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol
SMILESCOc1cccc2c1OCC(CN1CCOCC(CO)C1)=C2
InChIInChI=1S/C17H23NO4/c1-20-16-4-2-3-15-7-13(12-22-17(15)16)8-18-5-6-21-11-14(9-18)10-19/h2-4,7,14,19H,5-6,8-12H2,1H3
InChIKeyDUXNBQXSZWRSAV-UHFFFAOYSA-N
XLogP1.41
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-[(8-methoxy-2H-chromen-3-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95219403
11-[(8-methoxy-2H-chromen-3-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171153309
methyl 5-[(8-methoxy-2H-chromen-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50979082
1-[1-[(8-methoxy-2H-chromen-3-yl)methyl]piperidin-4-yl]-N-propan-2-ylpiperidine-4-carboxamide
CID 25280743
1-[(8-methoxy-2H-chromen-3-yl)methyl]-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 70705760
(6R)-4-(2H-chromen-3-ylmethyl)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepane
CID 124949162
(3R)-N-[(8-methoxy-2H-chromen-3-yl)methyl]-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
CID 51633437
[4-[(5-chloro-3-methoxy-2-propoxyphenyl)methyl]-1,4-oxazepan-6-yl]methanol
CID 70785122
(1R,5R)-6-[(8-methoxy-2H-chromen-3-yl)methyl]-3-pyrazin-2-yl-3,6-diazabicyclo[3.2.2]nonane
CID 72869800
[3-(aminomethyl)pyrrolidin-1-yl]-(8-methoxy-2H-chromen-3-yl)methanone;hydrochloride
CID 119483721
(8-methoxy-2H-chromen-3-yl)-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971286
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509

Frequently Asked Questions

What is the IUPAC name of [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol?
The IUPAC name of [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol (CID 70705472) is [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol.
What is the SMILES notation for [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol?
The canonical SMILES for [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol is COc1cccc2c1OCC(CN1CCOCC(CO)C1)=C2.
What is the InChIKey of [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol?
The InChIKey is DUXNBQXSZWRSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-20-16-4-2-3-15-7-13(12-22-17(15)16)8-18-5-6-21-11-14(9-18)10-19/h2-4,7,14,19H,5-6,8-12H2,1H3.
What are the key properties of [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol?
[4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol has a molecular weight of 305.37 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(8-methoxy-2H-chromen-3-yl)methyl]-1,4-oxazepan-6-yl]methanol is sourced from PubChem (CID 70705472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).