4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol

C20H22O2 — CID 67100965

IUPAC4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol
SMILESCc1cccc2c1OC1CCCCCC21c1ccc(O)cc1
InChIInChI=1S/C20H22O2/c1-14-6-5-7-17-19(14)22-18-8-3-2-4-13-20(17,18)15-9-11-16(21)12-10-15/h5-7,9-12,18,21H,2-4,8,13H2,1H3
InChIKeyIZOJPSNQMJLHNF-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.71
Rot. Bonds1

About 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol

4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol (PubChem CID 67100965) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol.

Molecular Properties

Compound Name4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol
PubChem CID67100965
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol
SMILESCc1cccc2c1OC1CCCCCC21c1ccc(O)cc1
InChIInChI=1S/C20H22O2/c1-14-6-5-7-17-19(14)22-18-8-3-2-4-13-20(17,18)15-9-11-16(21)12-10-15/h5-7,9-12,18,21H,2-4,8,13H2,1H3
InChIKeyIZOJPSNQMJLHNF-UHFFFAOYSA-N
XLogP4.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol?
The IUPAC name of 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol (CID 67100965) is 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol.
What is the SMILES notation for 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol?
The canonical SMILES for 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol is Cc1cccc2c1OC1CCCCCC21c1ccc(O)cc1.
What is the InChIKey of 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol?
The InChIKey is IZOJPSNQMJLHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-14-6-5-7-17-19(14)22-18-8-3-2-4-13-20(17,18)15-9-11-16(21)12-10-15/h5-7,9-12,18,21H,2-4,8,13H2,1H3.
What are the key properties of 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol?
4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol has a molecular weight of 294.39 g/mol, XLogP of 4.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5a,6,7,8,9,10-hexahydrocyclohepta[b][1]benzofuran-10a-yl)phenol is sourced from PubChem (CID 67100965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).