[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate

C14H17NO3 — CID 175562107

IUPAC[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate
SMILESCC1C=C(c2ccc(OC(N)=O)cc2)CC(C)O1
InChIInChI=1S/C14H17NO3/c1-9-7-12(8-10(2)17-9)11-3-5-13(6-4-11)18-14(15)16/h3-7,9-10H,8H2,1-2H3,(H2,15,16)
InChIKeySTXOMJFTECNLQN-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.72
Rot. Bonds2

About [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate

[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate (PubChem CID 175562107) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate.

Molecular Properties

Compound Name[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate
PubChem CID175562107
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate
SMILESCC1C=C(c2ccc(OC(N)=O)cc2)CC(C)O1
InChIInChI=1S/C14H17NO3/c1-9-7-12(8-10(2)17-9)11-3-5-13(6-4-11)18-14(15)16/h3-7,9-10H,8H2,1-2H3,(H2,15,16)
InChIKeySTXOMJFTECNLQN-UHFFFAOYSA-N
XLogP2.72
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate?
The IUPAC name of [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate (CID 175562107) is [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate.
What is the SMILES notation for [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate?
The canonical SMILES for [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate is CC1C=C(c2ccc(OC(N)=O)cc2)CC(C)O1.
What is the InChIKey of [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate?
The InChIKey is STXOMJFTECNLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-9-7-12(8-10(2)17-9)11-3-5-13(6-4-11)18-14(15)16/h3-7,9-10H,8H2,1-2H3,(H2,15,16).
What are the key properties of [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate?
[4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate has a molecular weight of 247.29 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethyl-3,6-dihydro-2H-pyran-4-yl)phenyl] carbamate is sourced from PubChem (CID 175562107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).