(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol

C16H16O2 — CID 134970015

IUPAC(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol
SMILESCC1COc2cc(CO)ccc2-c2ccccc21
InChIInChI=1S/C16H16O2/c1-11-10-18-16-8-12(9-17)6-7-15(16)14-5-3-2-4-13(11)14/h2-8,11,17H,9-10H2,1H3
InChIKeyLFWKYMLDYOFQPW-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.34
Rot. Bonds1

About (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol

(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol (PubChem CID 134970015) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol.

Molecular Properties

Compound Name(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol
PubChem CID134970015
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol
SMILESCC1COc2cc(CO)ccc2-c2ccccc21
InChIInChI=1S/C16H16O2/c1-11-10-18-16-8-12(9-17)6-7-15(16)14-5-3-2-4-13(11)14/h2-8,11,17H,9-10H2,1H3
InChIKeyLFWKYMLDYOFQPW-UHFFFAOYSA-N
XLogP3.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol?
The IUPAC name of (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol (CID 134970015) is (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol.
What is the SMILES notation for (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol?
The canonical SMILES for (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol is CC1COc2cc(CO)ccc2-c2ccccc21.
What is the InChIKey of (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol?
The InChIKey is LFWKYMLDYOFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-10-18-16-8-12(9-17)6-7-15(16)14-5-3-2-4-13(11)14/h2-8,11,17H,9-10H2,1H3.
What are the key properties of (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol?
(7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol has a molecular weight of 240.30 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-6,7-dihydrobenzo[d][1]benzoxepin-3-yl)methanol is sourced from PubChem (CID 134970015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).