[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol

C14H20O4 — CID 59494852

IUPAC[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol
SMILESCOCCCOc1cc(CO)cc2c1OCCC2
InChIInChI=1S/C14H20O4/c1-16-5-3-7-17-13-9-11(10-15)8-12-4-2-6-18-14(12)13/h8-9,15H,2-7,10H2,1H3
InChIKeyXFZOINVVMHSBDG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.92
Rot. Bonds6

About [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol

[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol (PubChem CID 59494852) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol.

Molecular Properties

Compound Name[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol
PubChem CID59494852
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol
SMILESCOCCCOc1cc(CO)cc2c1OCCC2
InChIInChI=1S/C14H20O4/c1-16-5-3-7-17-13-9-11(10-15)8-12-4-2-6-18-14(12)13/h8-9,15H,2-7,10H2,1H3
InChIKeyXFZOINVVMHSBDG-UHFFFAOYSA-N
XLogP1.92
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(3-methoxypropoxy)-2,3-dihydro-1H-indene-5-carboxamide
CID 141251495
[4-chloro-3-(3-methoxypropoxy)phenyl]methanol
CID 70333908
[4-ethoxy-3-(3-methoxypropoxy)phenyl]methanol
CID 143066572
5-ethyl-7-methoxy-2,3-dihydro-1-benzofuran
CID 170265985
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
1-(3,4-dihydro-2H-chromen-8-yl)-4-methoxybutan-1-amine
CID 114745442
(7-bromo-2,3-dihydro-1-benzofuran-5-yl)methanol
CID 66545161
[3-chloro-4-(4-methoxybutoxy)phenyl]methanol
CID 115777024
7-(iodomethyl)-5-(2-methoxyethoxy)-3,4-dihydro-2H-chromene
CID 143499870
2-(7-methoxy-2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 117297220
6-amino-N-(4-methoxybutyl)-3,4-dihydro-2H-chromene-8-sulfonamide
CID 107337100
7-bromo-6-ethyl-4-(3-methoxypropoxy)-2,3-dihydro-1-benzofuran
CID 59494360

Frequently Asked Questions

What is the IUPAC name of [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol?
The IUPAC name of [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol (CID 59494852) is [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol.
What is the SMILES notation for [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol?
The canonical SMILES for [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol is COCCCOc1cc(CO)cc2c1OCCC2.
What is the InChIKey of [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol?
The InChIKey is XFZOINVVMHSBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-5-3-7-17-13-9-11(10-15)8-12-4-2-6-18-14(12)13/h8-9,15H,2-7,10H2,1H3.
What are the key properties of [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol?
[8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol has a molecular weight of 252.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3-methoxypropoxy)-3,4-dihydro-2H-chromen-6-yl]methanol is sourced from PubChem (CID 59494852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).