8-tert-butyl-6-methoxy-2,2-dimethylchromene

C16H22O2 — CID 135002178

IUPAC8-tert-butyl-6-methoxy-2,2-dimethylchromene
SMILESCOc1cc2c(c(C(C)(C)C)c1)OC(C)(C)C=C2
InChIInChI=1S/C16H22O2/c1-15(2,3)13-10-12(17-6)9-11-7-8-16(4,5)18-14(11)13/h7-10H,1-6H3
InChIKeyPMSXGMHWPFMUIW-UHFFFAOYSA-N
MW246.35 g/mol
LogP4.18
Rot. Bonds1

About 8-tert-butyl-6-methoxy-2,2-dimethylchromene

8-tert-butyl-6-methoxy-2,2-dimethylchromene (PubChem CID 135002178) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 8-tert-butyl-6-methoxy-2,2-dimethylchromene.

Molecular Properties

Compound Name8-tert-butyl-6-methoxy-2,2-dimethylchromene
PubChem CID135002178
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name8-tert-butyl-6-methoxy-2,2-dimethylchromene
SMILESCOc1cc2c(c(C(C)(C)C)c1)OC(C)(C)C=C2
InChIInChI=1S/C16H22O2/c1-15(2,3)13-10-12(17-6)9-11-7-8-16(4,5)18-14(11)13/h7-10H,1-6H3
InChIKeyPMSXGMHWPFMUIW-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-2,2-dimethylchromene-8-carbaldehyde
CID 101088559
6-tert-butyl-2,2-dimethyl-7,8-bis(prop-2-ynoxy)chromene
CID 14375007
8-methoxy-2,2-dimethylchromene-6-carbaldehyde
CID 13248419
2,6-ditert-butyl-4-methoxyphenol
CID 10269
16,22-ditert-butyl-19-chloro-14,24-dimethoxy-18,20-dioxa-3,10-diaza-19-thallatetracyclo[19.4.0.04,9.012,17]pentacosa-1(21),2,4,6,8,10,12(17),13,15,22,24-undecaene
CID 145026364
6-chloro-2,2-dimethylchromen-8-amine
CID 141005934
1-tert-butyl-2,3-dichloro-5-methoxybenzene
CID 121288639
7-methoxy-2,2-dimethyl-6-propan-2-yloxychromene
CID 15390937
7-methoxy-6-(1-methoxyethyl)-2,2-dimethylchromene
CID 14427467
7-methoxy-6-[1-[1-(7-methoxy-2,2-dimethylchromen-6-yl)ethoxy]ethyl]-2,2-dimethylchromene
CID 14427469
(NE)-N-[(8-methoxy-2,2-dimethylchromen-7-yl)methylidene]hydroxylamine
CID 56658714
(2R)-6-methoxy-1',3',3'-trimethyl-8-nitrospiro[chromene-2,2'-indole]
CID 1100892

Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-6-methoxy-2,2-dimethylchromene?
The IUPAC name of 8-tert-butyl-6-methoxy-2,2-dimethylchromene (CID 135002178) is 8-tert-butyl-6-methoxy-2,2-dimethylchromene.
What is the SMILES notation for 8-tert-butyl-6-methoxy-2,2-dimethylchromene?
The canonical SMILES for 8-tert-butyl-6-methoxy-2,2-dimethylchromene is COc1cc2c(c(C(C)(C)C)c1)OC(C)(C)C=C2.
What is the InChIKey of 8-tert-butyl-6-methoxy-2,2-dimethylchromene?
The InChIKey is PMSXGMHWPFMUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-15(2,3)13-10-12(17-6)9-11-7-8-16(4,5)18-14(11)13/h7-10H,1-6H3.
What are the key properties of 8-tert-butyl-6-methoxy-2,2-dimethylchromene?
8-tert-butyl-6-methoxy-2,2-dimethylchromene has a molecular weight of 246.35 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-6-methoxy-2,2-dimethylchromene is sourced from PubChem (CID 135002178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).