4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol

C16H16O3 — CID 10060956

IUPAC4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol
SMILESCc1c(O)ccc2c1OC(C)c1c-2ccc(O)c1C
InChIInChI=1S/C16H16O3/c1-8-13(17)6-4-11-12-5-7-14(18)9(2)16(12)19-10(3)15(8)11/h4-7,10,17-18H,1-3H3
InChIKeySKULOBHFUJYXEB-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.84
Rot. Bonds

About 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol

4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol (PubChem CID 10060956) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol.

Molecular Properties

Compound Name4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol
PubChem CID10060956
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol
SMILESCc1c(O)ccc2c1OC(C)c1c-2ccc(O)c1C
InChIInChI=1S/C16H16O3/c1-8-13(17)6-4-11-12-5-7-14(18)9(2)16(12)19-10(3)15(8)11/h4-7,10,17-18H,1-3H3
InChIKeySKULOBHFUJYXEB-UHFFFAOYSA-N
XLogP3.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol?
The IUPAC name of 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol (CID 10060956) is 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol.
What is the SMILES notation for 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol?
The canonical SMILES for 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol is Cc1c(O)ccc2c1OC(C)c1c-2ccc(O)c1C.
What is the InChIKey of 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol?
The InChIKey is SKULOBHFUJYXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-8-13(17)6-4-11-12-5-7-14(18)9(2)16(12)19-10(3)15(8)11/h4-7,10,17-18H,1-3H3.
What are the key properties of 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol?
4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol has a molecular weight of 256.30 g/mol, XLogP of 3.84, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-6H-benzo[c]chromene-3,8-diol is sourced from PubChem (CID 10060956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).