(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol

C20H22O4 — CID 132850786

IUPAC(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(OC)c3c2OC(C)(C)C=C3)c1
InChIInChI=1S/C20H22O4/c1-20(2)11-10-15-17(23-4)9-8-16(19(15)24-20)18(21)13-6-5-7-14(12-13)22-3/h5-12,18,21H,1-4H3
InChIKeyQRQBQBGAYRVSFH-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.97
Rot. Bonds4

About (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol

(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol (PubChem CID 132850786) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol
PubChem CID132850786
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2ccc(OC)c3c2OC(C)(C)C=C3)c1
InChIInChI=1S/C20H22O4/c1-20(2)11-10-15-17(23-4)9-8-16(19(15)24-20)18(21)13-6-5-7-14(12-13)22-3/h5-12,18,21H,1-4H3
InChIKeyQRQBQBGAYRVSFH-UHFFFAOYSA-N
XLogP3.97
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-methoxy-2,2-dimethylchromen-8-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 132850788
(3-methoxyphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985249
(4-bromo-2,5-dimethoxyphenyl)-(3-methoxyphenyl)methanol
CID 105057045
(2,5-dimethoxyphenyl)-(3-methylphenyl)methanol
CID 61099011
(5-bromo-2-methoxy-4-methylphenyl)-(3-methoxyphenyl)methanol
CID 65432396
(2,5-dimethoxyphenyl)-(3-fluorophenyl)methanol
CID 61099370
(2-ethoxyphenyl)-(3-methoxyphenyl)methanol
CID 62801888
(S)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146658
(R)-(4-chlorophenyl)-(3-methoxyphenyl)methanol
CID 7146657
(2-ethylphenyl)-(3-methoxyphenyl)methanol
CID 63900317
(2,5-dibromophenyl)-(3-methoxyphenyl)methanol
CID 61100755
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol?
The IUPAC name of (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol (CID 132850786) is (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol.
What is the SMILES notation for (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol?
The canonical SMILES for (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol is COc1cccc(C(O)c2ccc(OC)c3c2OC(C)(C)C=C3)c1.
What is the InChIKey of (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol?
The InChIKey is QRQBQBGAYRVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-20(2)11-10-15-17(23-4)9-8-16(19(15)24-20)18(21)13-6-5-7-14(12-13)22-3/h5-12,18,21H,1-4H3.
What are the key properties of (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol?
(5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol has a molecular weight of 326.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2,2-dimethylchromen-8-yl)-(3-methoxyphenyl)methanol is sourced from PubChem (CID 132850786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).