3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C14H20O2 — CID 62738037

IUPAC3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCC(C)Oc1ccc2c(c1)C(O)CCCC2
InChIInChI=1S/C14H20O2/c1-10(2)16-12-8-7-11-5-3-4-6-14(15)13(11)9-12/h7-10,14-15H,3-6H2,1-2H3
InChIKeyOUEIANMLPHOEFI-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.23
Rot. Bonds2

About 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 62738037) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID62738037
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCC(C)Oc1ccc2c(c1)C(O)CCCC2
InChIInChI=1S/C14H20O2/c1-10(2)16-12-8-7-11-5-3-4-6-14(15)13(11)9-12/h7-10,14-15H,3-6H2,1-2H3
InChIKeyOUEIANMLPHOEFI-UHFFFAOYSA-N
XLogP3.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol 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

7-propan-2-yloxy-1,2,3,4-tetrahydronaphthalen-1-ol
CID 62738038
7-(2-methylpentoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091344
(1S)-7-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014448
1-(5-hydroxy-5,6,7,8,9,10-hexahydrobenzo[8]annulen-3-yl)propan-1-one
CID 90992189
3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 114091354
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
CID 115483216
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
CID 104889645
7-[(4-phenylphenyl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 166633236
7-(methylamino)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 89110450
(1S)-7-(cyclopropylmethoxymethoxy)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 114091372
7-amino-1,2,3,4-tetrahydronaphthalen-1-ol
CID 15840809

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 62738037) is 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CC(C)Oc1ccc2c(c1)C(O)CCCC2.
What is the InChIKey of 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is OUEIANMLPHOEFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)16-12-8-7-11-5-3-4-6-14(15)13(11)9-12/h7-10,14-15H,3-6H2,1-2H3.
What are the key properties of 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 220.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 62738037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).