3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol

C18H20O3 — CID 114743509

IUPAC3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccc(C(O)c2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H20O3/c1-20-12-13-7-9-14(10-8-13)17(19)16-6-2-4-15-5-3-11-21-18(15)16/h2,4,6-10,17,19H,3,5,11-12H2,1H3
InChIKeyKKJWFNZEQLHCBK-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds4

About 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol

3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol (PubChem CID 114743509) 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-[4-(methoxymethyl)phenyl]methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
PubChem CID114743509
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol
SMILESCOCc1ccc(C(O)c2cccc3c2OCCC3)cc1
InChIInChI=1S/C18H20O3/c1-20-12-13-7-9-14(10-8-13)17(19)16-6-2-4-15-5-3-11-21-18(15)16/h2,4,6-10,17,19H,3,5,11-12H2,1H3
InChIKeyKKJWFNZEQLHCBK-UHFFFAOYSA-N
XLogP3.24
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-chromen-8-yl-(4-ethylphenyl)methanol
CID 114743317
3,4-dihydro-2H-chromen-8-yl-(3-methoxy-4-methylphenyl)methanol
CID 115837852
3,4-dihydro-2H-chromen-8-yl-[4-(dimethylamino)phenyl]methanol
CID 114743263
(4-bromo-3,5-dimethylphenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114744817
3,4-dihydro-2H-chromen-8-yl-(2-methylphenyl)methanol
CID 114743328
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
2,3-dihydro-1-benzofuran-7-yl-(4-propan-2-yloxyphenyl)methanol
CID 114743236
(3-bromo-4-fluorophenyl)-(3,4-dihydro-2H-chromen-8-yl)methanol
CID 114743343
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
1-(3,4-dihydro-2H-chromen-8-yl)-3-methoxypropan-1-amine
CID 114745115
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methoxyethylamino)ethanol
CID 114747435
3,4-dihydro-2H-chromen-8-yl-(2-fluorophenyl)methanol
CID 114743309

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol (CID 114743509) is 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol is COCc1ccc(C(O)c2cccc3c2OCCC3)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol?
The InChIKey is KKJWFNZEQLHCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-20-12-13-7-9-14(10-8-13)17(19)16-6-2-4-15-5-3-11-21-18(15)16/h2,4,6-10,17,19H,3,5,11-12H2,1H3.
What are the key properties of 3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol?
3,4-dihydro-2H-chromen-8-yl-[4-(methoxymethyl)phenyl]methanol has a molecular weight of 284.36 g/mol, XLogP of 3.24, 4 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-[4-(methoxymethyl)phenyl]methanol is sourced from PubChem (CID 114743509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).