1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol

C15H20O3 — CID 64513955

IUPAC1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
SMILESOC(CCc1ccc2c(c1)OCCCO2)C1CC1
InChIInChI=1S/C15H20O3/c16-13(12-4-5-12)6-2-11-3-7-14-15(10-11)18-9-1-8-17-14/h3,7,10,12-13,16H,1-2,4-6,8-9H2
InChIKeyOHZAHSLPJNGOCN-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.55
Rot. Bonds4

About 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol

1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol (PubChem CID 64513955) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
PubChem CID64513955
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol
SMILESOC(CCc1ccc2c(c1)OCCCO2)C1CC1
InChIInChI=1S/C15H20O3/c16-13(12-4-5-12)6-2-11-3-7-14-15(10-11)18-9-1-8-17-14/h3,7,10,12-13,16H,1-2,4-6,8-9H2
InChIKeyOHZAHSLPJNGOCN-UHFFFAOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,1-diol
CID 163584472
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-phenylpropan-1-ol
CID 64513516
7-(3-chloro-4-methylpentyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 64508886
7-(4-chlorobutyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 54449265
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
CID 115672887
7-(2-isocyanatoethyl)-3,4-dihydro-2H-1,5-benzodioxepine
CID 82285759
1-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870105
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]piperidine
CID 60869539
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pentan-3-one
CID 64520541
2-[cyclopropyl-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoyl]amino]acetic acid
CID 119194609
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetate
CID 7443094

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
The IUPAC name of 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol (CID 64513955) is 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
The canonical SMILES for 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol is OC(CCc1ccc2c(c1)OCCCO2)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
The InChIKey is OHZAHSLPJNGOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-13(12-4-5-12)6-2-11-3-7-14-15(10-11)18-9-1-8-17-14/h3,7,10,12-13,16H,1-2,4-6,8-9H2.
What are the key properties of 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol?
1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-ol is sourced from PubChem (CID 64513955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).