4-(furan-3-yl)azepane;(3-methylphenyl)methanol

C18H25NO2 — CID 142245478

IUPAC4-(furan-3-yl)azepane;(3-methylphenyl)methanol
SMILESCc1cccc(CO)c1.c1cc(C2CCCNCC2)co1
InChIInChI=1S/C10H15NO.C8H10O/c1-2-9(3-6-11-5-1)10-4-7-12-8-10;1-7-3-2-4-8(5-7)6-9/h4,7-9,11H,1-3,5-6H2;2-5,9H,6H2,1H3
InChIKeyCIJCXBSRXNQGHC-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.62
Rot. Bonds2

About 4-(furan-3-yl)azepane;(3-methylphenyl)methanol

4-(furan-3-yl)azepane;(3-methylphenyl)methanol (PubChem CID 142245478) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 4-(furan-3-yl)azepane;(3-methylphenyl)methanol.

Molecular Properties

Compound Name4-(furan-3-yl)azepane;(3-methylphenyl)methanol
PubChem CID142245478
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name4-(furan-3-yl)azepane;(3-methylphenyl)methanol
SMILESCc1cccc(CO)c1.c1cc(C2CCCNCC2)co1
InChIInChI=1S/C10H15NO.C8H10O/c1-2-9(3-6-11-5-1)10-4-7-12-8-10;1-7-3-2-4-8(5-7)6-9/h4,7-9,11H,1-3,5-6H2;2-5,9H,6H2,1H3
InChIKeyCIJCXBSRXNQGHC-UHFFFAOYSA-N
XLogP3.62
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(furan-3-yl)azepane
CID 83262129
2-ethylbutan-1-ol;4-(furan-3-yl)piperidine
CID 142245522
(3-cycloheptylphenyl)methanol
CID 84672634
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
4-(2-fluoro-5-methylphenyl)azepane
CID 83262245
2-(3-methylphenyl)-1-piperidin-3-ylethanol
CID 79019455
3-[(3-methylphenyl)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911769
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
(3R)-N-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 81129550
N-[(3-methylphenyl)methyl]-2-piperidin-4-ylsulfanylacetamide
CID 114626861
4-[(3-methylphenyl)methoxy]piperidine;hydrochloride
CID 45075442

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)azepane;(3-methylphenyl)methanol?
The IUPAC name of 4-(furan-3-yl)azepane;(3-methylphenyl)methanol (CID 142245478) is 4-(furan-3-yl)azepane;(3-methylphenyl)methanol.
What is the SMILES notation for 4-(furan-3-yl)azepane;(3-methylphenyl)methanol?
The canonical SMILES for 4-(furan-3-yl)azepane;(3-methylphenyl)methanol is Cc1cccc(CO)c1.c1cc(C2CCCNCC2)co1.
What is the InChIKey of 4-(furan-3-yl)azepane;(3-methylphenyl)methanol?
The InChIKey is CIJCXBSRXNQGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C8H10O/c1-2-9(3-6-11-5-1)10-4-7-12-8-10;1-7-3-2-4-8(5-7)6-9/h4,7-9,11H,1-3,5-6H2;2-5,9H,6H2,1H3.
What are the key properties of 4-(furan-3-yl)azepane;(3-methylphenyl)methanol?
4-(furan-3-yl)azepane;(3-methylphenyl)methanol has a molecular weight of 287.40 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)azepane;(3-methylphenyl)methanol is sourced from PubChem (CID 142245478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).