3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C14H20O — CID 62736189

IUPAC3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCCc1ccc2c(c1)C(O)CCCC2
InChIInChI=1S/C14H20O/c1-2-5-11-8-9-12-6-3-4-7-14(15)13(12)10-11/h8-10,14-15H,2-7H2,1H3
InChIKeyMCDKVDGIBWGGJJ-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.40
Rot. Bonds2

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

3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 62736189) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID62736189
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCCc1ccc2c(c1)C(O)CCCC2
InChIInChI=1S/C14H20O/c1-2-5-11-8-9-12-6-3-4-7-14(15)13(12)10-11/h8-10,14-15H,2-7H2,1H3
InChIKeyMCDKVDGIBWGGJJ-UHFFFAOYSA-N
XLogP3.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 62736189) is 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CCCc1ccc2c(c1)C(O)CCCC2.
What is the InChIKey of 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is MCDKVDGIBWGGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-2-5-11-8-9-12-6-3-4-7-14(15)13(12)10-11/h8-10,14-15H,2-7H2,1H3.
What are the key properties of 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 204.31 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 62736189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).