2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol

C15H22O — CID 115483250

IUPAC2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCc1cc2c(cc1C)C(O)CC(C)(C)CC2
InChIInChI=1S/C15H22O/c1-10-7-12-5-6-15(3,4)9-14(16)13(12)8-11(10)2/h7-8,14,16H,5-6,9H2,1-4H3
InChIKeyPUTCZYOGSAHZPL-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.70
Rot. Bonds

About 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol

2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol (PubChem CID 115483250) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol.

Molecular Properties

Compound Name2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
PubChem CID115483250
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
SMILESCc1cc2c(cc1C)C(O)CC(C)(C)CC2
InChIInChI=1S/C15H22O/c1-10-7-12-5-6-15(3,4)9-14(16)13(12)8-11(10)2/h7-8,14,16H,5-6,9H2,1-4H3
InChIKeyPUTCZYOGSAHZPL-UHFFFAOYSA-N
XLogP3.70
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]inden-5-ol
CID 113319284
2,3-diethyl-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 113319285
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
3-chloro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934374
1,2,3-trimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934715
5-bromo-2,3-dimethoxy-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 63515124
5-bromo-7,7-dimethyl-2,3,5,6,8,9-hexahydro-1H-cyclohepta[f]indene
CID 115483281
1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
CID 79837865
2,3,7,7-tetramethyl-8,9-dihydro-6H-benzo[7]annulen-5-one
CID 115483109
(5R,6R)-6-amino-2,3-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 124654482
5-chloro-3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulene
CID 63513554
(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
CID 79838530

Frequently Asked Questions

What is the IUPAC name of 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
The IUPAC name of 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol (CID 115483250) is 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol.
What is the SMILES notation for 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
The canonical SMILES for 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol is Cc1cc2c(cc1C)C(O)CC(C)(C)CC2.
What is the InChIKey of 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
The InChIKey is PUTCZYOGSAHZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10-7-12-5-6-15(3,4)9-14(16)13(12)8-11(10)2/h7-8,14,16H,5-6,9H2,1-4H3.
What are the key properties of 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol?
2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol has a molecular weight of 218.34 g/mol, XLogP of 3.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,7,7-tetramethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol is sourced from PubChem (CID 115483250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).