3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol

C18H24O2 — CID 154127061

IUPAC3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)CC1=C2CC(C)CC1
InChIInChI=1S/C18H24O2/c1-11-5-6-13-10-18(3,4)20-16-9-12(2)8-15(19)17(16)14(13)7-11/h8-9,11,19H,5-7,10H2,1-4H3
InChIKeyJHLPXYZFWCTYGX-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.84
Rot. Bonds

About 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol

3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol (PubChem CID 154127061) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol.

Molecular Properties

Compound Name3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol
PubChem CID154127061
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol
SMILESCc1cc(O)c2c(c1)OC(C)(C)CC1=C2CC(C)CC1
InChIInChI=1S/C18H24O2/c1-11-5-6-13-10-18(3,4)20-16-9-12(2)8-15(19)17(16)14(13)7-11/h8-9,11,19H,5-7,10H2,1-4H3
InChIKeyJHLPXYZFWCTYGX-UHFFFAOYSA-N
XLogP4.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol?
The IUPAC name of 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol (CID 154127061) is 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol.
What is the SMILES notation for 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol?
The canonical SMILES for 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol is Cc1cc(O)c2c(c1)OC(C)(C)CC1=C2CC(C)CC1.
What is the InChIKey of 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol?
The InChIKey is JHLPXYZFWCTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-11-5-6-13-10-18(3,4)20-16-9-12(2)8-15(19)17(16)14(13)7-11/h8-9,11,19H,5-7,10H2,1-4H3.
What are the key properties of 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol?
3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol has a molecular weight of 272.39 g/mol, XLogP of 4.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,6,10-tetramethyl-8,9,10,11-tetrahydro-7H-benzo[d][1]benzoxepin-1-ol is sourced from PubChem (CID 154127061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).