2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol

C21H24O3 — CID 11370750

IUPAC2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol
SMILESCOc1cc(CCc2ccccc2O)c2c(c1C)OC(C)(C)C=C2
InChIInChI=1S/C21H24O3/c1-14-19(23-4)13-16(10-9-15-7-5-6-8-18(15)22)17-11-12-21(2,3)24-20(14)17/h5-8,11-13,22H,9-10H2,1-4H3
InChIKeyAODLXBVIJRTMIY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.68
Rot. Bonds4

About 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol

2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol (PubChem CID 11370750) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol.

Molecular Properties

Compound Name2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol
PubChem CID11370750
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol
SMILESCOc1cc(CCc2ccccc2O)c2c(c1C)OC(C)(C)C=C2
InChIInChI=1S/C21H24O3/c1-14-19(23-4)13-16(10-9-15-7-5-6-8-18(15)22)17-11-12-21(2,3)24-20(14)17/h5-8,11-13,22H,9-10H2,1-4H3
InChIKeyAODLXBVIJRTMIY-UHFFFAOYSA-N
XLogP4.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol?
The IUPAC name of 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol (CID 11370750) is 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol.
What is the SMILES notation for 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol?
The canonical SMILES for 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol is COc1cc(CCc2ccccc2O)c2c(c1C)OC(C)(C)C=C2.
What is the InChIKey of 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol?
The InChIKey is AODLXBVIJRTMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c1-14-19(23-4)13-16(10-9-15-7-5-6-8-18(15)22)17-11-12-21(2,3)24-20(14)17/h5-8,11-13,22H,9-10H2,1-4H3.
What are the key properties of 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol?
2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol has a molecular weight of 324.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(7-methoxy-2,2,8-trimethylchromen-5-yl)ethyl]phenol is sourced from PubChem (CID 11370750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).