(3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol

C12H16O2 — CID 137487757

IUPAC(3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol
SMILESCC1COC2=CC=C(CO)CC=C2C1
InChIInChI=1S/C12H16O2/c1-9-6-11-4-2-10(7-13)3-5-12(11)14-8-9/h3-5,9,13H,2,6-8H2,1H3
InChIKeyDVTRGHLAEGEZOA-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.18
Rot. Bonds1

About (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol

(3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol (PubChem CID 137487757) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol.

Molecular Properties

Compound Name(3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol
PubChem CID137487757
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name(3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol
SMILESCC1COC2=CC=C(CO)CC=C2C1
InChIInChI=1S/C12H16O2/c1-9-6-11-4-2-10(7-13)3-5-12(11)14-8-9/h3-5,9,13H,2,6-8H2,1H3
InChIKeyDVTRGHLAEGEZOA-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol?
The IUPAC name of (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol (CID 137487757) is (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol.
What is the SMILES notation for (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol?
The canonical SMILES for (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol is CC1COC2=CC=C(CO)CC=C2C1.
What is the InChIKey of (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol?
The InChIKey is DVTRGHLAEGEZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-9-6-11-4-2-10(7-13)3-5-12(11)14-8-9/h3-5,9,13H,2,6-8H2,1H3.
What are the key properties of (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol?
(3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol has a molecular weight of 192.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,3,4,6-tetrahydrocyclohepta[b]pyran-7-yl)methanol is sourced from PubChem (CID 137487757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).