2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol

C20H20BrNO2 — CID 1100889

IUPAC2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
SMILESCC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc(Br)ccc1O2
InChIInChI=1S/C20H20BrNO2/c1-19(2)16-5-3-4-6-17(16)22(11-12-23)20(19)10-9-14-13-15(21)7-8-18(14)24-20/h3-10,13,23H,11-12H2,1-2H3/t20-/m0/s1
InChIKeySJHYCCGHOJCXHQ-FQEVSTJZSA-N
MW386.29 g/mol
LogP4.34
Rot. Bonds2

About 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol

2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol (PubChem CID 1100889) has the molecular formula C20H20BrNO2 and a molecular weight of 386.29 g/mol. Its IUPAC name is 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
PubChem CID1100889
Molecular FormulaC20H20BrNO2
Molecular Weight386.29 g/mol
Exact Mass385.07
IUPAC Name2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
SMILESCC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc(Br)ccc1O2
InChIInChI=1S/C20H20BrNO2/c1-19(2)16-5-3-4-6-17(16)22(11-12-23)20(19)10-9-14-13-15(21)7-8-18(14)24-20/h3-10,13,23H,11-12H2,1-2H3/t20-/m0/s1
InChIKeySJHYCCGHOJCXHQ-FQEVSTJZSA-N
XLogP4.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.29
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-3',3',5'-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol
CID 167694327
6-(3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl)hexanoic acid
CID 18684288
(2S)-1'-dodecyl-N-hydroxy-3',3'-dimethylspiro[chromene-2,2'-indole]-6-amine oxide
CID 163125736
2-(3',3'-dimethyl-6'-nitrospiro[chromene-2,2'-indole]-1'-yl)ethanol
CID 54462986
5-[6-(dihydroxyamino)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]pentanoic acid
CID 89247321
1'-benzyl-6-chloro-3',3'-dimethylspiro[chromene-2,2'-indole]
CID 155907395
(1'-benzyl-3',3'-dimethylspiro[chromene-2,2'-indole]-6-yl)-phenylmethanone
CID 165164633
ethyl 5-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)pentanoate
CID 12039340
3',3'-dimethyl-6-nitro-1'-prop-2-ynylspiro[chromene-2,2'-indole]
CID 102433038
3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)-N-[11-[11-[3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoylamino]undecyldisulfanyl]undecyl]propanamide
CID 24810727
2-[(2R)-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethyl 2-methylprop-2-enoate;bis(sulfur trioxide);bis(2-[(2R)-3',3',6-trimethylspiro[chromene-2,2'-indole]-1'-yl]ethyl 2-methylprop-2-enoate)
CID 167590455
ethyl 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)acetate
CID 58298819

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
The IUPAC name of 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol (CID 1100889) is 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol.
What is the SMILES notation for 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
The canonical SMILES for 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol is CC1(C)c2ccccc2N(CCO)[C@]12C=Cc1cc(Br)ccc1O2.
What is the InChIKey of 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
The InChIKey is SJHYCCGHOJCXHQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20BrNO2/c1-19(2)16-5-3-4-6-17(16)22(11-12-23)20(19)10-9-14-13-15(21)7-8-18(14)24-20/h3-10,13,23H,11-12H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol?
2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol has a molecular weight of 386.29 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-6-bromo-3',3'-dimethylspiro[chromene-2,2'-indole]-1'-yl]ethanol is sourced from PubChem (CID 1100889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).