(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol

C14H20O2 — CID 79014479

IUPAC(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCC(C)(C)c1ccc2c(c1)[C@@H](O)CCO2
InChIInChI=1S/C14H20O2/c1-4-14(2,3)10-5-6-13-11(9-10)12(15)7-8-16-13/h5-6,9,12,15H,4,7-8H2,1-3H3/t12-/m0/s1
InChIKeyXUPNGWZADGKVEW-LBPRGKRZSA-N
MW220.31 g/mol
LogP3.19
Rot. Bonds2

About (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol

(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol (PubChem CID 79014479) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
PubChem CID79014479
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol
SMILESCCC(C)(C)c1ccc2c(c1)[C@@H](O)CCO2
InChIInChI=1S/C14H20O2/c1-4-14(2,3)10-5-6-13-11(9-10)12(15)7-8-16-13/h5-6,9,12,15H,4,7-8H2,1-3H3/t12-/m0/s1
InChIKeyXUPNGWZADGKVEW-LBPRGKRZSA-N
XLogP3.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-7-(2-methylbutan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 79014175
5-(2-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-3-amine
CID 43512181
(1S)-4-methyl-7-(2-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 113305867
(4R)-6-iodo-3,4-dihydro-2H-chromen-4-ol
CID 58909283
N-methoxy-7-(2-methylbutan-2-yl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 81481929
6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 15148408
N-ethyl-6-(2,4,4-trimethylpentan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43512357
6-(2-hydroxyethyl)-3,4-dihydro-2H-chromen-4-ol
CID 67687802
5-(2-methylbutan-2-yl)-2-propyl-2,3-dihydro-1-benzofuran-3-ol
CID 83047572
(4R)-7-ethyl-3,4-dihydro-2H-chromen-4-ol
CID 69174288
(4S)-6-phenylmethoxy-3,4-dihydro-2H-chromen-4-ol
CID 79014406
(4S)-7-iodo-3,4-dihydro-2H-chromen-4-ol
CID 130741729

Frequently Asked Questions

What is the IUPAC name of (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol (CID 79014479) is (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol is CCC(C)(C)c1ccc2c(c1)[C@@H](O)CCO2.
What is the InChIKey of (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is XUPNGWZADGKVEW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-14(2,3)10-5-6-13-11(9-10)12(15)7-8-16-13/h5-6,9,12,15H,4,7-8H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol?
(4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 220.31 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6-(2-methylbutan-2-yl)-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 79014479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).