3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol

C18H20O3 — CID 115837852

IUPAC3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cccc3c2OCCC3)ccc1C
InChIInChI=1S/C18H20O3/c1-12-8-9-14(11-16(12)20-2)17(19)15-7-3-5-13-6-4-10-21-18(13)15/h3,5,7-9,11,17,19H,4,6,10H2,1-2H3
InChIKeyJFLQSAWDVQAXFH-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds3

About 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol

3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol (PubChem CID 115837852) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
PubChem CID115837852
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
SMILESCOc1cc(C(O)c2cccc3c2OCCC3)ccc1C
InChIInChI=1S/C18H20O3/c1-12-8-9-14(11-16(12)20-2)17(19)15-7-3-5-13-6-4-10-21-18(13)15/h3,5,7-9,11,17,19H,4,6,10H2,1-2H3
InChIKeyJFLQSAWDVQAXFH-UHFFFAOYSA-N
XLogP3.41
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
CID 114743509
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
(2-fluoro-3-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanol
CID 115828621
3,4-dihydro-2H-chromen-8-yl-(3-methoxyphenyl)methanamine
CID 114744832
(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 107947846
2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
CID 105091733
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol (CID 115837852) is 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol is COc1cc(C(O)c2cccc3c2OCCC3)ccc1C.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol?
The InChIKey is JFLQSAWDVQAXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-12-8-9-14(11-16(12)20-2)17(19)15-7-3-5-13-6-4-10-21-18(13)15/h3,5,7-9,11,17,19H,4,6,10H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol?
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol has a molecular weight of 284.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol is sourced from PubChem (CID 115837852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).