4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol

C17H18O3 — CID 123628917

IUPAC4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol
SMILESCCc1cc(OC2CCc3ccccc3O2)ccc1O
InChIInChI=1S/C17H18O3/c1-2-12-11-14(8-9-15(12)18)19-17-10-7-13-5-3-4-6-16(13)20-17/h3-6,8-9,11,17-18H,2,7,10H2,1H3
InChIKeyZCHFAMJDFYJUFH-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.68
Rot. Bonds3

About 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol

4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol (PubChem CID 123628917) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol
PubChem CID123628917
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol
SMILESCCc1cc(OC2CCc3ccccc3O2)ccc1O
InChIInChI=1S/C17H18O3/c1-2-12-11-14(8-9-15(12)18)19-17-10-7-13-5-3-4-6-16(13)20-17/h3-6,8-9,11,17-18H,2,7,10H2,1H3
InChIKeyZCHFAMJDFYJUFH-UHFFFAOYSA-N
XLogP3.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-3,4-dihydro-2H-chromene
CID 14668691
2-[3-[[4-(3,4-dihydro-2H-chromen-2-yloxy)benzoyl]amino]phenyl]acetic acid
CID 158271581
3,4-dihydro-2H-chromen-2-yl phenyl carbonate
CID 54471598
3,4-dihydro-2H-chromen-2-yl trifluoromethanesulfonate
CID 19028100
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
[4-(3,4-dihydro-2H-chromen-2-ylmethyl)phenyl] acetate
CID 19918517
6-ethyl-2-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 151096967
2,3,4,5-tetrahydro-1-benzoxepin-2-yl methanesulfonate
CID 139878584
1-amino-3-(3,4-dihydro-2H-chromen-2-yloxy)propan-2-ol
CID 154341753
4-chloro-2-[(R)-[(2R)-3,4-dihydro-2H-chromen-2-yl]-methoxymethyl]phenol
CID 53381201
2-(oxan-2-yloxy)-3,4-dihydro-2H-chromene
CID 139962317
1-(3,4-dihydro-2H-chromen-2-yl)-2,2-dimethylpropan-1-one
CID 23567144

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol?
The IUPAC name of 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol (CID 123628917) is 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol.
What is the SMILES notation for 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol?
The canonical SMILES for 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol is CCc1cc(OC2CCc3ccccc3O2)ccc1O.
What is the InChIKey of 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol?
The InChIKey is ZCHFAMJDFYJUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-12-11-14(8-9-15(12)18)19-17-10-7-13-5-3-4-6-16(13)20-17/h3-6,8-9,11,17-18H,2,7,10H2,1H3.
What are the key properties of 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol?
4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol has a molecular weight of 270.33 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-chromen-2-yloxy)-2-ethylphenol is sourced from PubChem (CID 123628917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).