2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol

C16H18O2 — CID 176790590

IUPAC2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol
SMILESCC1Cc2c(ccc3cc(O)cc(C(C)C)c23)O1
InChIInChI=1S/C16H18O2/c1-9(2)13-8-12(17)7-11-4-5-15-14(16(11)13)6-10(3)18-15/h4-5,7-10,17H,6H2,1-3H3
InChIKeyVPTPPJJITNWULN-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.99
Rot. Bonds1

About 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol

2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol (PubChem CID 176790590) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol.

Molecular Properties

Compound Name2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol
PubChem CID176790590
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Name2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol
SMILESCC1Cc2c(ccc3cc(O)cc(C(C)C)c23)O1
InChIInChI=1S/C16H18O2/c1-9(2)13-8-12(17)7-11-4-5-15-14(16(11)13)6-10(3)18-15/h4-5,7-10,17H,6H2,1-3H3
InChIKeyVPTPPJJITNWULN-UHFFFAOYSA-N
XLogP3.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4-propan-2-ylnaphthalen-2-ol
CID 166533328
6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
CID 170081699
2-methyl-2,3-dihydro-1-benzofuran-6-ol
CID 21485134
2-chloro-1-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-1-one
CID 43297026
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
4-methyl-5-propan-2-ylnaphthalen-2-ol
CID 167179698
2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 115010473
(2R)-5-iodo-2-methyl-2,3-dihydro-1-benzofuran
CID 176929787
(2S)-5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 93279299
5-bromo-2-methyl-2,3-dihydro-1-benzofuran
CID 13301601
methyl 2-hydroxy-2-(2-methyl-2,3-dihydro-1-benzofuran-4-yl)acetate
CID 117317848

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol?
The IUPAC name of 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol (CID 176790590) is 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol.
What is the SMILES notation for 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol?
The canonical SMILES for 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol is CC1Cc2c(ccc3cc(O)cc(C(C)C)c23)O1.
What is the InChIKey of 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol?
The InChIKey is VPTPPJJITNWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2/c1-9(2)13-8-12(17)7-11-4-5-15-14(16(11)13)6-10(3)18-15/h4-5,7-10,17H,6H2,1-3H3.
What are the key properties of 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol?
2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol has a molecular weight of 242.32 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-propan-2-yl-1,2-dihydrobenzo[e][1]benzofuran-7-ol is sourced from PubChem (CID 176790590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).